CID 5360385

Refchem:409251

Structural Information

Molecular Formula
C6H7
SMILES
C[C]1C=CC=C1
InChI
InChI=1S/C6H7/c1-6-4-2-3-5-6/h2-5H,1H3
InChIKey
WBTKQXJIUHKTSH-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

0
Patents

79.05477 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 80.062046 112.0
[M+Na]+ 102.04399 120.6
[M-H]- 78.047494 116.0
[M+NH4]+ 97.088593 137.9
[M+K]+ 118.01793 120.0
[M+H-H2O]+ 62.052030 107.5
[M+HCOO]- 124.05297 138.3
[M+CH3COO]- 138.06862 162.6
[M+Na-2H]- 100.02944 119.7
[M]+ 79.054221 111.5
[M]- 79.055319 111.5
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.