CID 15561472

3-hydroxy-n-methylpropanamide

Structural Information

Molecular Formula
C4H9NO2
SMILES
CNC(=O)CCO
InChI
InChI=1S/C4H9NO2/c1-5-4(7)2-3-6/h6H,2-3H2,1H3,(H,5,7)
InChIKey
TWOQEKLRIJBDSY-UHFFFAOYSA-N
Compound name
3-hydroxy-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

526
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 119.7
[M+Na]+ 126.052548 126.5
[M-H]- 102.056054 118.9
[M+NH4]+ 121.097153 141.9
[M+K]+ 142.026488 126.6
[M+H-H2O]+ 86.060590 115.3
[M+HCOO]- 148.061531 143.3
[M+CH3COO]- 162.077181 166.4
[M+Na-2H]- 124.037996 126.2
[M]+ 103.06278142 118.9
[M]- 103.06387858 118.9
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