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

66
Patents

210.06406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.071336 142.0
[M+Na]+ 233.053278 148.2
[M-H]- 209.056784 145.8
[M+NH4]+ 228.097883 159.6
[M+K]+ 249.027218 143.4
[M+H-H2O]+ 193.061320 140.1
[M+HCOO]- 255.062261 168.4
[M+CH3COO]- 269.077911 181.0
[M+Na-2H]- 231.038726 149.6
[M]+ 210.06351142 141.6
[M]- 210.06460858 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