CID 738244

N-isopropyl-2-nitrobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

208.0848 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 143.4
[M+Na]+ 231.074018 149.1
[M-H]- 207.077524 147.2
[M+NH4]+ 226.118623 161.1
[M+K]+ 247.047958 144.0
[M+H-H2O]+ 191.082060 141.8
[M+HCOO]- 253.083001 168.3
[M+CH3COO]- 267.098651 183.3
[M+Na-2H]- 229.059466 149.1
[M]+ 208.08425142 141.5
[M]- 208.08534858 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