CID 7504

Benzylamine

Structural Information

Molecular Formula
C7H9N
SMILES
C1=CC=C(C=C1)CN
InChI
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKey
WGQKYBSKWIADBV-UHFFFAOYSA-N
Compound name
phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

927
References

118875
Patents

107.0735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.08078 119.3
[M+Na]+ 130.06272 132.2
[M+NH4]+ 125.10732 129.3
[M+K]+ 146.03666 125.2
[M-H]- 106.06622 123.0
[M+Na-2H]- 128.04817 128.0
[M]+ 107.07295 122.2
[M]- 107.07405 122.2
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

patents stripe