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

90088
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.