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 139.8
[M+Na]+ 211.10934 145.2
[M-H]- 187.11284 145.0
[M+NH4]+ 206.15394 155.6
[M+K]+ 227.08328 146.2
[M+H-H2O]+ 171.11738 132.9
[M+HCOO]- 233.11832 156.6
[M+CH3COO]- 247.13397 151.5
[M+Na-2H]- 209.09479 147.5
[M]+ 188.11957 142.6
[M]- 188.12067 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.