CID 3042946

4bh-benzo(3,4)cyclobuta(1,2)cyclohepten-4b-ol, 5,6,7,8,9,9a-hexahydro-, cis-

Structural Information

Molecular Formula
C13H16O
SMILES
C1CC[C@H]2C3=CC=CC=C3[C@]2(CC1)O
InChI
InChI=1S/C13H16O/c14-13-9-5-1-2-7-11(13)10-6-3-4-8-12(10)13/h3-4,6,8,11,14H,1-2,5,7,9H2/t11-,13+/m0/s1
InChIKey
JMTSXWGSSWFYNM-WCQYABFASA-N
Compound name
(1R,8S)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.127396 139.8
[M+Na]+ 211.109338 145.2
[M-H]- 187.112844 145.0
[M+NH4]+ 206.153943 155.6
[M+K]+ 227.083278 146.2
[M+H-H2O]+ 171.117380 132.9
[M+HCOO]- 233.118321 156.6
[M+CH3COO]- 247.133971 151.5
[M+Na-2H]- 209.094786 147.5
[M]+ 188.11957142 142.6
[M]- 188.12066858 142.6
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.