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
7
Annotation Hits

158
References

78564
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 119.3
[M+Na]+ 130.06272 132.5
[M+NH4]+ 125.10732 129.4
[M+K]+ 146.03666 125.2
[M-H]- 106.06622 123.1
[M+Na-2H]- 128.04817 128.4
[M]+ 107.07295 122.3
[M]- 107.07405 122.3
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