CID 12701621

Methyl n-(2-hydroxyethyl)carbamate

Structural Information

Molecular Formula
C4H9NO3
SMILES
COC(=O)NCCO
InChI
InChI=1S/C4H9NO3/c1-8-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
InChIKey
ZLADYZHDLCSTJV-UHFFFAOYSA-N
Compound name
methyl N-(2-hydroxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

119.05824 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 122.5
[M+Na]+ 142.047458 129.4
[M-H]- 118.050964 121.7
[M+NH4]+ 137.092063 144.0
[M+K]+ 158.021398 129.9
[M+H-H2O]+ 102.055500 117.9
[M+HCOO]- 164.056441 146.4
[M+CH3COO]- 178.072091 167.8
[M+Na-2H]- 140.032906 129.0
[M]+ 119.05769142 123.1
[M]- 119.05878858 123.1
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