CID 498642

Nsc633613

Structural Information

Molecular Formula
C12H16
SMILES
C1CCC2=C3CCCCC3=C2C1
InChI
InChI=1S/C12H16/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H2
InChIKey
PZTCAWKYMCYWQR-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,8-octahydrobiphenylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.1252 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 127.6
[M+Na]+ 183.11442 133.0
[M-H]- 159.11792 132.3
[M+NH4]+ 178.15902 144.2
[M+K]+ 199.08836 133.0
[M+H-H2O]+ 143.12246 117.4
[M+HCOO]- 205.12340 145.2
[M+CH3COO]- 219.13905 140.3
[M+Na-2H]- 181.09987 135.5
[M]+ 160.12465 132.1
[M]- 160.12575 132.1
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.