CID 87536

N-(2-hydroxyethyl)propionamide

Structural Information

Molecular Formula
C5H11NO2
SMILES
CCC(=O)NCCO
InChI
InChI=1S/C5H11NO2/c1-2-5(8)6-3-4-7/h7H,2-4H2,1H3,(H,6,8)
InChIKey
GQKLTNAIFDFUDN-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

908
Patents

117.07898 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 124.3
[M+Na]+ 140.06820 130.7
[M-H]- 116.07170 123.4
[M+NH4]+ 135.11280 145.9
[M+K]+ 156.04214 130.6
[M+H-H2O]+ 100.07624 119.7
[M+HCOO]- 162.07718 147.6
[M+CH3COO]- 176.09283 169.4
[M+Na-2H]- 138.05365 130.3
[M]+ 117.07843 123.9
[M]- 117.07953 123.9
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