CID 16216773

219492-81-6

Structural Information

Molecular Formula
C11H15N3O4
SMILES
CC(C)(C)OC(=O)NC1=CC(=C(C=C1)N)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(15)13-7-4-5-8(12)9(6-7)14(16)17/h4-6H,12H2,1-3H3,(H,13,15)
InChIKey
RUVAEQDTSNIFKU-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-3-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

253.10626 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 153.3
[M+Na]+ 276.09548 159.1
[M-H]- 252.09898 156.9
[M+NH4]+ 271.14008 169.0
[M+K]+ 292.06942 154.0
[M+H-H2O]+ 236.10352 151.5
[M+HCOO]- 298.10446 177.8
[M+CH3COO]- 312.12011 192.0
[M+Na-2H]- 274.08093 160.0
[M]+ 253.10571 151.6
[M]- 253.10681 151.6
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