CID 56049

Isopropyl (3-carbamoyloxypropyl)carbamate

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CC(C)OC(=O)NCCCOC(=O)N
InChI
InChI=1S/C8H16N2O4/c1-6(2)14-8(12)10-4-3-5-13-7(9)11/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,12)
InChIKey
CMTFAFHOSNUZPC-UHFFFAOYSA-N
Compound name
propan-2-yl N-(3-carbamoyloxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11101 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.118286 146.7
[M+Na]+ 227.100228 151.2
[M-H]- 203.103734 146.2
[M+NH4]+ 222.144833 164.7
[M+K]+ 243.074168 152.3
[M+H-H2O]+ 187.108270 140.4
[M+HCOO]- 249.109211 169.6
[M+CH3COO]- 263.124861 189.3
[M+Na-2H]- 225.085676 148.2
[M]+ 204.11046142 148.1
[M]- 204.11155858 148.1
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.