CID 223805

Ethyl n-(2-hydroxyethyl)carbamate

Structural Information

Molecular Formula
C5H11NO3
SMILES
CCOC(=O)NCCO
InChI
InChI=1S/C5H11NO3/c1-2-9-5(8)6-3-4-7/h7H,2-4H2,1H3,(H,6,8)
InChIKey
IDWDPUULTDNNBY-UHFFFAOYSA-N
Compound name
ethyl N-(2-hydroxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

453
Patents

133.0739 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.081176 127.1
[M+Na]+ 156.063118 133.6
[M-H]- 132.066624 126.1
[M+NH4]+ 151.107723 148.1
[M+K]+ 172.037058 133.9
[M+H-H2O]+ 116.071160 122.3
[M+HCOO]- 178.072101 150.7
[M+CH3COO]- 192.087751 170.8
[M+Na-2H]- 154.048566 133.1
[M]+ 133.07335142 128.1
[M]- 133.07444858 128.1
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