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]+ 191.10263 142.1
[M+Na]+ 213.08457 147.0
[M-H]- 189.08807 141.8
[M+NH4]+ 208.12917 160.6
[M+K]+ 229.05851 148.3
[M+H-H2O]+ 173.09261 136.0
[M+HCOO]- 235.09355 165.3
[M+CH3COO]- 249.10920 186.3
[M+Na-2H]- 211.07002 144.1
[M]+ 190.09480 143.2
[M]- 190.09590 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.