CID 7515

N-methylaniline

Structural Information

Molecular Formula
C7H9N
SMILES
CNC1=CC=CC=C1
InChI
InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey
AFBPFSWMIHJQDM-UHFFFAOYSA-N
Compound name
N-methylaniline
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

158
References

87690
Patents

107.0735 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.08078 118.3
[M+Na]+ 130.06272 125.8
[M-H]- 106.06622 122.2
[M+NH4]+ 125.10732 141.1
[M+K]+ 146.03666 124.4
[M+H-H2O]+ 90.070760 113.0
[M+HCOO]- 152.07170 144.7
[M+CH3COO]- 166.08735 170.1
[M+Na-2H]- 128.04817 128.1
[M]+ 107.07295 116.8
[M]- 107.07405 116.8
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