CID 5360385

39470-10-5

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

0
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 112.9
[M+Na]+ 102.04399 125.5
[M+NH4]+ 97.088593 123.4
[M+K]+ 118.01793 120.4
[M-H]- 78.047494 115.6
[M+Na-2H]- 100.02944 120.7
[M]+ 79.054221 115.5
[M]- 79.055319 115.5
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.