CID 117503

1,3-propanediol, 2-propylidene-, dicarbamate

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]+ 203.102626 145.6
[M+Na]+ 225.084568 150.4
[M-H]- 201.088074 144.5
[M+NH4]+ 220.129173 163.2
[M+K]+ 241.058508 150.5
[M+H-H2O]+ 185.092610 139.4
[M+HCOO]- 247.093551 168.0
[M+CH3COO]- 261.109201 187.9
[M+Na-2H]- 223.070016 146.0
[M]+ 202.09480142 145.3
[M]- 202.09589858 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.