CID 24843322

1,3-propanediol, dicarbamate

Structural Information

Molecular Formula
C5H10N2O4
SMILES
C(COC(=O)N)COC(=O)N
InChI
InChI=1S/C5H10N2O4/c6-4(8)10-2-1-3-11-5(7)9/h1-3H2,(H2,6,8)(H2,7,9)
InChIKey
OFHQHVCVSKOCCH-UHFFFAOYSA-N
Compound name
3-carbamoyloxypropyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

162.06406 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07134 132.2
[M+Na]+ 185.05328 138.1
[M-H]- 161.05678 131.6
[M+NH4]+ 180.09788 151.5
[M+K]+ 201.02722 139.0
[M+H-H2O]+ 145.06132 126.4
[M+HCOO]- 207.06226 156.4
[M+CH3COO]- 221.07791 179.4
[M+Na-2H]- 183.03873 135.5
[M]+ 162.06351 132.2
[M]- 162.06461 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe