CID 13562

4-hydroxybutanamide

Structural Information

Molecular Formula
C4H9NO2
SMILES
C(CC(=O)N)CO
InChI
InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)
InChIKey
LOESDOAIWSCMKM-UHFFFAOYSA-N
Compound name
4-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

1424
Patents

103.06333 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 119.9
[M+Na]+ 126.05255 126.7
[M-H]- 102.05605 118.6
[M+NH4]+ 121.09715 141.7
[M+K]+ 142.02649 126.4
[M+H-H2O]+ 86.060590 115.5
[M+HCOO]- 148.06153 142.9
[M+CH3COO]- 162.07718 166.4
[M+Na-2H]- 124.03800 125.3
[M]+ 103.06278 118.2
[M]- 103.06388 118.2
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