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]+ 254.113536 154.5
[M+Na]+ 276.095478 158.9
[M-H]- 252.098984 159.2
[M+NH4]+ 271.140083 170.5
[M+K]+ 292.069418 155.1
[M+H-H2O]+ 236.103520 151.5
[M+HCOO]- 298.104461 181.6
[M+CH3COO]- 312.120111 195.4
[M+Na-2H]- 274.080926 160.7
[M]+ 253.10571142 155.2
[M]- 253.10680858 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.