CID 597166

2,3-dimethyl-6-nitroaniline

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=C(C(=C(C=C1)[N+](=O)[O-])N)C
InChI
InChI=1S/C8H10N2O2/c1-5-3-4-7(10(11)12)8(9)6(5)2/h3-4H,9H2,1-2H3
InChIKey
YEFYPFWBLCARLC-UHFFFAOYSA-N
Compound name
2,3-dimethyl-6-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

166.07423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 131.5
[M+Na]+ 189.06345 140.2
[M-H]- 165.06695 135.7
[M+NH4]+ 184.10805 151.5
[M+K]+ 205.03739 134.4
[M+H-H2O]+ 149.07149 130.8
[M+HCOO]- 211.07243 158.0
[M+CH3COO]- 225.08808 176.9
[M+Na-2H]- 187.04890 138.3
[M]+ 166.07368 129.4
[M]- 166.07478 129.4
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.