CID 90510

N-(2-methyl-2-nitropropyl)-4-nitrosoaniline

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CC(C)(CNC1=CC=C(C=C1)N=O)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O3/c1-10(2,13(15)16)7-11-8-3-5-9(12-14)6-4-8/h3-6,11H,7H2,1-2H3
InChIKey
HGAHFVOTRBLLFI-UHFFFAOYSA-N
Compound name
N-(2-methyl-2-nitropropyl)-4-nitrosoaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

39
Patents

223.09569 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 145.5
[M+Na]+ 246.08491 151.4
[M-H]- 222.08841 150.7
[M+NH4]+ 241.12951 163.0
[M+K]+ 262.05885 146.7
[M+H-H2O]+ 206.09295 143.4
[M+HCOO]- 268.09389 173.2
[M+CH3COO]- 282.10954 190.4
[M+Na-2H]- 244.07036 155.8
[M]+ 223.09514 145.5
[M]- 223.09624 145.5
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