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

294
Patents

119.05824 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06552 122.5
[M+Na]+ 142.04746 129.4
[M-H]- 118.05096 121.7
[M+NH4]+ 137.09206 144.0
[M+K]+ 158.02140 129.9
[M+H-H2O]+ 102.05550 117.9
[M+HCOO]- 164.05644 146.4
[M+CH3COO]- 178.07209 167.8
[M+Na-2H]- 140.03291 129.0
[M]+ 119.05769 123.1
[M]- 119.05879 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