CID 3714875

Propan-2-yl [2-(carbamoyloxy)ethyl]carbamate (non-preferred name)

Structural Information

Molecular Formula
C7H14N2O4
SMILES
CC(C)OC(=O)NCCOC(=O)N
InChI
InChI=1S/C7H14N2O4/c1-5(2)13-7(11)9-3-4-12-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKey
SICRHSHTSXDYFG-UHFFFAOYSA-N
Compound name
propan-2-yl N-(2-carbamoyloxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09535 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.102626 142.1
[M+Na]+ 213.084568 147.0
[M-H]- 189.088074 141.8
[M+NH4]+ 208.129173 160.6
[M+K]+ 229.058508 148.3
[M+H-H2O]+ 173.092610 136.0
[M+HCOO]- 235.093551 165.3
[M+CH3COO]- 249.109201 186.3
[M+Na-2H]- 211.070016 144.1
[M]+ 190.09480142 143.2
[M]- 190.09589858 143.2
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.