CID 73954

N-benzylidenemethylamine

Structural Information

Molecular Formula
C8H9N
SMILES
CN=CC1=CC=CC=C1
InChI
InChI=1S/C8H9N/c1-9-7-8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
HXTGGPKOEKKUQO-UHFFFAOYSA-N
Compound name
N-methyl-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

979
Patents

119.0735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08078 121.3
[M+Na]+ 142.06272 129.1
[M-H]- 118.06622 126.5
[M+NH4]+ 137.10732 144.3
[M+K]+ 158.03666 127.9
[M+H-H2O]+ 102.07076 115.6
[M+HCOO]- 164.07170 149.0
[M+CH3COO]- 178.08735 174.3
[M+Na-2H]- 140.04817 131.0
[M]+ 119.07295 121.2
[M]- 119.07405 121.2
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