CID 225837

2-methyl-n-(4-nitrophenyl)propanamide

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CC(C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O3/c1-7(2)10(13)11-8-3-5-9(6-4-8)12(14)15/h3-7H,1-2H3,(H,11,13)
InChIKey
BXRDRYLJKVRXHE-UHFFFAOYSA-N
Compound name
2-methyl-N-(4-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

208.0848 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 143.4
[M+Na]+ 231.07402 149.1
[M-H]- 207.07752 147.2
[M+NH4]+ 226.11862 161.1
[M+K]+ 247.04796 144.0
[M+H-H2O]+ 191.08206 141.8
[M+HCOO]- 253.08300 168.3
[M+CH3COO]- 267.09865 183.3
[M+Na-2H]- 229.05947 149.1
[M]+ 208.08425 141.5
[M]- 208.08535 141.5
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