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 153.6
[M+Na]+ 276.09548 163.0
[M+NH4]+ 271.14008 159.3
[M+K]+ 292.06942 162.5
[M-H]- 252.09898 155.6
[M+Na-2H]- 274.08093 157.6
[M]+ 253.10571 155.0
[M]- 253.10681 155.0
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