CID 5746781

Propionanilide, 2'-amino-2,2-dimethyl-5'-nitro-

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CC(C)(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])N
InChI
InChI=1S/C11H15N3O3/c1-11(2,3)10(15)13-9-6-7(14(16)17)4-5-8(9)12/h4-6H,12H2,1-3H3,(H,13,15)
InChIKey
VAFOGELTEDKQPQ-UHFFFAOYSA-N
Compound name
N-(2-amino-5-nitrophenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

237.11134 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 150.2
[M+Na]+ 260.10056 156.1
[M-H]- 236.10406 153.8
[M+NH4]+ 255.14516 166.6
[M+K]+ 276.07450 150.5
[M+H-H2O]+ 220.10860 148.7
[M+HCOO]- 282.10954 174.5
[M+CH3COO]- 296.12519 190.5
[M+Na-2H]- 258.08601 156.7
[M]+ 237.11079 147.3
[M]- 237.11189 147.3
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