CID 11804802

N-(1,3-dihydroxypropan-2-yl)acetamide

Structural Information

Molecular Formula
C5H11NO3
SMILES
CC(=O)NC(CO)CO
InChI
InChI=1S/C5H11NO3/c1-4(9)6-5(2-7)3-8/h5,7-8H,2-3H2,1H3,(H,6,9)
InChIKey
QPWBBPDULLEDDG-UHFFFAOYSA-N
Compound name
N-(1,3-dihydroxypropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

109
Patents

133.0739 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 128.2
[M+Na]+ 156.06312 133.9
[M-H]- 132.06662 125.8
[M+NH4]+ 151.10772 148.3
[M+K]+ 172.03706 133.8
[M+H-H2O]+ 116.07116 123.6
[M+HCOO]- 178.07210 149.2
[M+CH3COO]- 192.08775 169.9
[M+Na-2H]- 154.04857 132.3
[M]+ 133.07335 126.6
[M]- 133.07445 126.6
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