CID 138394862

Dtxsid3051961

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC([C@@H]2[C@]13CCC(=C)[C@H](C3)C2(C)C)O
InChI
InChI=1S/C15H24O/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16)7-10(15)2/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12?,13+,15+/m1/s1
InChIKey
XXEZIFFYVUWPSP-UXBXGOFWSA-N
Compound name
(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-4-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 154.0
[M+Na]+ 243.17193 162.0
[M-H]- 219.17543 157.1
[M+NH4]+ 238.21653 182.2
[M+K]+ 259.14587 156.9
[M+H-H2O]+ 203.17997 151.0
[M+HCOO]- 265.18091 169.2
[M+CH3COO]- 279.19656 190.2
[M+Na-2H]- 241.15738 154.7
[M]+ 220.18216 150.6
[M]- 220.18326 150.6
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.