CID 443074

3-hydroxybutanamide

Structural Information

Molecular Formula
C4H9NO2
SMILES
CC(CC(=O)N)O
InChI
InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)
InChIKey
OOHIGOIEQKKEPK-UHFFFAOYSA-N
Compound name
3-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

760
Patents

103.06333 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 120.5
[M+Na]+ 126.052548 127.0
[M-H]- 102.056054 119.2
[M+NH4]+ 121.097153 142.2
[M+K]+ 142.026488 127.2
[M+H-H2O]+ 86.060590 116.1
[M+HCOO]- 148.061531 142.4
[M+CH3COO]- 162.077181 167.3
[M+Na-2H]- 124.037996 124.5
[M]+ 103.06278142 118.0
[M]- 103.06387858 118.0
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