CID 104466397

1566733-70-7

Structural Information

Molecular Formula
C6H12N2O4
SMILES
CC(C)OC(=O)NOCC(=O)N
InChI
InChI=1S/C6H12N2O4/c1-4(2)12-6(10)8-11-3-5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKey
RJQGZIQUAQQKRC-UHFFFAOYSA-N
Compound name
propan-2-yl N-(2-amino-2-oxoethoxy)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.07971 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08699 137.2
[M+Na]+ 199.06893 142.5
[M-H]- 175.07243 137.0
[M+NH4]+ 194.11353 156.2
[M+K]+ 215.04287 144.0
[M+H-H2O]+ 159.07697 131.3
[M+HCOO]- 221.07791 160.7
[M+CH3COO]- 235.09356 184.0
[M+Na-2H]- 197.05438 139.8
[M]+ 176.07916 138.0
[M]- 176.08026 138.0
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.