CID 14146034

N,3-dimethyl-4-nitroaniline

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=C(C=CC(=C1)NC)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O2/c1-6-5-7(9-2)3-4-8(6)10(11)12/h3-5,9H,1-2H3
InChIKey
GEELCTZCKMIRAO-UHFFFAOYSA-N
Compound name
N,3-dimethyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

166.07423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 131.5
[M+Na]+ 189.06345 139.2
[M-H]- 165.06695 135.8
[M+NH4]+ 184.10805 151.4
[M+K]+ 205.03739 133.7
[M+H-H2O]+ 149.07149 130.4
[M+HCOO]- 211.07243 158.6
[M+CH3COO]- 225.08808 176.5
[M+Na-2H]- 187.04890 139.9
[M]+ 166.07368 130.0
[M]- 166.07478 130.0
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