CID 4351481

2-dimethylaminoethyl n-(3-nitrophenyl)carbamate

Structural Information

Molecular Formula
C11H15N3O4
SMILES
CN(C)CCOC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O4/c1-13(2)6-7-18-11(15)12-9-4-3-5-10(8-9)14(16)17/h3-5,8H,6-7H2,1-2H3,(H,12,15)
InChIKey
CGPVIASPYQJZNV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(3-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.10626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 154.5
[M+Na]+ 276.09548 158.9
[M-H]- 252.09898 159.2
[M+NH4]+ 271.14008 170.5
[M+K]+ 292.06942 155.1
[M+H-H2O]+ 236.10352 151.5
[M+HCOO]- 298.10446 181.6
[M+CH3COO]- 312.12011 195.4
[M+Na-2H]- 274.08093 160.7
[M]+ 253.10571 155.2
[M]- 253.10681 155.2
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

No patent data available for this compound.