CID 12383628

52960-97-1

Structural Information

Molecular Formula
C12H14O
SMILES
C1CC2CCC1C3=C2C(=CC=C3)O
InChI
InChI=1S/C12H14O/c13-11-3-1-2-10-8-4-6-9(7-5-8)12(10)11/h1-3,8-9,13H,4-7H2
InChIKey
GRCBPHUNBYTWRP-UHFFFAOYSA-N
Compound name
tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

174.10446 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 134.3
[M+Na]+ 197.093678 139.5
[M-H]- 173.097184 133.0
[M+NH4]+ 192.138283 158.6
[M+K]+ 213.067618 135.9
[M+H-H2O]+ 157.101720 129.1
[M+HCOO]- 219.102661 146.5
[M+CH3COO]- 233.118311 145.6
[M+Na-2H]- 195.079126 145.7
[M]+ 174.10391142 133.9
[M]- 174.10500858 133.9
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

patents stripe