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]+ 189.12740 134.8
[M+Na]+ 211.10934 141.3
[M+NH4]+ 206.15394 141.9
[M+K]+ 227.08328 136.1
[M-H]- 187.11284 135.0
[M+Na-2H]- 209.09479 139.5
[M]+ 188.11957 134.9
[M]- 188.12067 134.9
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.