CID 21843598

92491-67-3

Structural Information

Molecular Formula
C11H15N3O4
SMILES
CC(C)(C)OC(=O)NNC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(15)13-12-8-4-6-9(7-5-8)14(16)17/h4-7,12H,1-3H3,(H,13,15)
InChIKey
JGHNMFQIFLJPRR-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-nitroanilino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

253.10626 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 153.1
[M+Na]+ 276.09548 157.9
[M-H]- 252.09898 156.8
[M+NH4]+ 271.14008 168.7
[M+K]+ 292.06942 153.2
[M+H-H2O]+ 236.10352 151.1
[M+HCOO]- 298.10446 178.3
[M+CH3COO]- 312.12011 191.5
[M+Na-2H]- 274.08093 161.5
[M]+ 253.10571 152.0
[M]- 253.10681 152.0
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