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

4
Patents

163.08446 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.091736 135.4
[M+Na]+ 186.073678 140.7
[M-H]- 162.077184 132.8
[M+NH4]+ 181.118283 154.3
[M+K]+ 202.047618 140.8
[M+H-H2O]+ 146.081720 130.3
[M+HCOO]- 208.082661 156.3
[M+CH3COO]- 222.098311 174.4
[M+Na-2H]- 184.059126 139.0
[M]+ 163.08391142 135.5
[M]- 163.08500858 135.5
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