CID 117503

25451-47-2

Structural Information

Molecular Formula
C8H14N2O4
SMILES
CCC=C(COC(=O)N)COC(=O)N
InChI
InChI=1S/C8H14N2O4/c1-2-3-6(4-13-7(9)11)5-14-8(10)12/h3H,2,4-5H2,1H3,(H2,9,11)(H2,10,12)
InChIKey
WRIAZWHRIAAAMU-UHFFFAOYSA-N
Compound name
2-(carbamoyloxymethyl)pent-2-enyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.09535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10263 145.6
[M+Na]+ 225.08457 150.4
[M-H]- 201.08807 144.5
[M+NH4]+ 220.12917 163.2
[M+K]+ 241.05851 150.5
[M+H-H2O]+ 185.09261 139.4
[M+HCOO]- 247.09355 168.0
[M+CH3COO]- 261.10920 187.9
[M+Na-2H]- 223.07002 146.0
[M]+ 202.09480 145.3
[M]- 202.09590 145.3
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.