CID 100984562

(1as,2r,7s,7as,7br)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1ah-cyclopropa[a]naphthalen-2-ol

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@H]1CCCC2=C[C@H]([C@H]3[C@@H]([C@]12C)C3(C)C)O
InChI
InChI=1S/C15H24O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h8-9,11-13,16H,5-7H2,1-4H3/t9-,11+,12-,13+,15+/m0/s1
InChIKey
YFLAOARQOANJAY-PLNRXTSHSA-N
Compound name
(1aS,2R,7S,7aS,7bR)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 153.2
[M+Na]+ 243.17193 163.1
[M-H]- 219.17543 158.1
[M+NH4]+ 238.21653 172.8
[M+K]+ 259.14587 159.9
[M+H-H2O]+ 203.17997 149.0
[M+HCOO]- 265.18091 167.4
[M+CH3COO]- 279.19656 194.6
[M+Na-2H]- 241.15738 158.1
[M]+ 220.18216 154.1
[M]- 220.18326 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.