CID 7483

N-methyl-4-nitroaniline

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CNC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
InChIKey
XIFJZJPMHNUGRA-UHFFFAOYSA-N
Compound name
N-methyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

2544
Patents

152.05858 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 127.0
[M+Na]+ 175.04780 134.2
[M-H]- 151.05130 131.1
[M+NH4]+ 170.09240 147.2
[M+K]+ 191.02174 129.0
[M+H-H2O]+ 135.05584 125.9
[M+HCOO]- 197.05678 154.5
[M+CH3COO]- 211.07243 172.4
[M+Na-2H]- 173.03325 136.7
[M]+ 152.05803 124.8
[M]- 152.05913 124.8
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