CID 5066538

2',3'-dimethyl-6'-nitroacetanilide

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C)C
InChI
InChI=1S/C10H12N2O3/c1-6-4-5-9(12(14)15)10(7(6)2)11-8(3)13/h4-5H,1-3H3,(H,11,13)
InChIKey
CZLTXJVPEMCPLP-UHFFFAOYSA-N
Compound name
N-(2,3-dimethyl-6-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

208.0848 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 142.5
[M+Na]+ 231.07402 150.2
[M-H]- 207.07752 146.9
[M+NH4]+ 226.11862 160.9
[M+K]+ 247.04796 144.7
[M+H-H2O]+ 191.08206 141.3
[M+HCOO]- 253.08300 168.3
[M+CH3COO]- 267.09865 184.9
[M+Na-2H]- 229.05947 148.2
[M]+ 208.08425 142.0
[M]- 208.08535 142.0
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

patents stripe