CID 128280

Cenab

Structural Information

Molecular Formula
C7H12N2O4
SMILES
CCOC(=O)N(CCCC=O)N=O
InChI
InChI=1S/C7H12N2O4/c1-2-13-7(11)9(8-12)5-3-4-6-10/h6H,2-5H2,1H3
InChIKey
QEYYJZFZVMEDRQ-UHFFFAOYSA-N
Compound name
ethyl N-nitroso-N-(4-oxobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

188.07971 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08699 138.1
[M+Na]+ 211.06893 144.4
[M-H]- 187.07243 141.1
[M+NH4]+ 206.11353 158.4
[M+K]+ 227.04287 146.7
[M+H-H2O]+ 171.07697 131.7
[M+HCOO]- 233.07791 166.2
[M+CH3COO]- 247.09356 190.9
[M+Na-2H]- 209.05438 143.8
[M]+ 188.07916 144.2
[M]- 188.08026 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

No patent data available for this compound.