CID 91622104

52960-98-2

Structural Information

Molecular Formula
C12H14O
SMILES
C1CC2CCC1C3=C2C=C(C=C3)O
InChI
InChI=1S/C12H14O/c13-10-5-6-11-8-1-3-9(4-2-8)12(11)7-10/h5-9,13H,1-4H2
InChIKey
SNTGZDTYVFUSMH-UHFFFAOYSA-N
Compound name
tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10446 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 134.3
[M+Na]+ 197.09368 139.5
[M-H]- 173.09718 133.0
[M+NH4]+ 192.13828 158.6
[M+K]+ 213.06762 135.9
[M+H-H2O]+ 157.10172 129.1
[M+HCOO]- 219.10266 146.5
[M+CH3COO]- 233.11831 145.6
[M+Na-2H]- 195.07913 145.7
[M]+ 174.10391 133.9
[M]- 174.10501 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

No patent data available for this compound.