CID 28603

4-nitrophenyl ethylcarbamate

Structural Information

Molecular Formula
C9H10N2O4
SMILES
CCNC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O4/c1-2-10-9(12)15-8-5-3-7(4-6-8)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChIKey
QVUXGCDXMKCVSB-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

210.06406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 142.3
[M+Na]+ 233.05328 153.7
[M+NH4]+ 228.09788 149.2
[M+K]+ 249.02722 151.5
[M-H]- 209.05678 144.9
[M+Na-2H]- 231.03873 147.9
[M]+ 210.06351 144.2
[M]- 210.06461 144.2
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

patents stripe