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

63
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 142.0
[M+Na]+ 233.05328 148.2
[M-H]- 209.05678 145.8
[M+NH4]+ 228.09788 159.6
[M+K]+ 249.02722 143.4
[M+H-H2O]+ 193.06132 140.1
[M+HCOO]- 255.06226 168.4
[M+CH3COO]- 269.07791 181.0
[M+Na-2H]- 231.03873 149.6
[M]+ 210.06351 141.6
[M]- 210.06461 141.6
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