CID 2781177

N-(3-hydroxypropyl)acetamide

Structural Information

Molecular Formula
C5H11NO2
SMILES
CC(=O)NCCCO
InChI
InChI=1S/C5H11NO2/c1-5(8)6-3-2-4-7/h7H,2-4H2,1H3,(H,6,8)
InChIKey
LEICDYOVJNQLTN-UHFFFAOYSA-N
Compound name
N-(3-hydroxypropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

647
Patents

117.07898 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.086256 124.3
[M+Na]+ 140.068198 130.7
[M-H]- 116.071704 123.4
[M+NH4]+ 135.112803 145.9
[M+K]+ 156.042138 130.6
[M+H-H2O]+ 100.076240 119.7
[M+HCOO]- 162.077181 147.6
[M+CH3COO]- 176.092831 169.4
[M+Na-2H]- 138.053646 130.3
[M]+ 117.07843142 123.9
[M]- 117.07952858 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