CID 120079

2-hydroxypropyl (2-hydroxyethyl)carbamate

Structural Information

Molecular Formula
C6H13NO4
SMILES
CC(COC(=O)NCCO)O
InChI
InChI=1S/C6H13NO4/c1-5(9)4-11-6(10)7-2-3-8/h5,8-9H,2-4H2,1H3,(H,7,10)
InChIKey
DUTMJVGIIHKQFS-UHFFFAOYSA-N
Compound name
2-hydroxypropyl N-(2-hydroxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

163.08446 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09174 135.4
[M+Na]+ 186.07368 140.7
[M-H]- 162.07718 132.8
[M+NH4]+ 181.11828 154.3
[M+K]+ 202.04762 140.8
[M+H-H2O]+ 146.08172 130.3
[M+HCOO]- 208.08266 156.3
[M+CH3COO]- 222.09831 174.4
[M+Na-2H]- 184.05913 139.0
[M]+ 163.08391 135.5
[M]- 163.08501 135.6
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

patents stripe