CID 42608144

5-bromo-1-isopropyl-2,5a-dimethyl-decahydro-cyclopropa[a]inden-2-ol

Structural Information

Molecular Formula
C15H24O
SMILES
CC(C)[C@@H]1[C@@H]2[C@H]1[C@H]3C(=C)CC[C@@H]([C@]3(C2)C)O
InChI
InChI=1S/C15H24O/c1-8(2)12-10-7-15(4)11(16)6-5-9(3)14(15)13(10)12/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11+,12-,13-,14-,15-/m1/s1
InChIKey
WVVFQZGQVPKOMT-RBTXIFOQSA-N
Compound name
(1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.3
[M+Na]+ 243.17193 161.4
[M-H]- 219.17543 156.8
[M+NH4]+ 238.21653 171.6
[M+K]+ 259.14587 156.5
[M+H-H2O]+ 203.17997 148.7
[M+HCOO]- 265.18091 166.6
[M+CH3COO]- 279.19656 194.9
[M+Na-2H]- 241.15738 153.0
[M]+ 220.18216 152.2
[M]- 220.18326 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.