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

42
Patents

253.10626 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.113536 153.3
[M+Na]+ 276.095478 159.1
[M-H]- 252.098984 156.9
[M+NH4]+ 271.140083 169.0
[M+K]+ 292.069418 154.0
[M+H-H2O]+ 236.103520 151.5
[M+HCOO]- 298.104461 177.8
[M+CH3COO]- 312.120111 192.0
[M+Na-2H]- 274.080926 160.0
[M]+ 253.10571142 151.6
[M]- 253.10680858 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