CID 165937640

3-acetamido-2-hydroxypentanoic acid

Structural Information

Molecular Formula
C7H13NO4
SMILES
CCC(C(C(=O)O)O)NC(=O)C
InChI
InChI=1S/C7H13NO4/c1-3-5(8-4(2)9)6(10)7(11)12/h5-6,10H,3H2,1-2H3,(H,8,9)(H,11,12)
InChIKey
BHKRADHNVHKXEC-UHFFFAOYSA-N
Compound name
3-acetamido-2-hydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.08446 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 138.9
[M+Na]+ 198.07368 143.5
[M-H]- 174.07718 136.3
[M+NH4]+ 193.11828 157.0
[M+K]+ 214.04762 143.9
[M+H-H2O]+ 158.08172 133.9
[M+HCOO]- 220.08266 157.7
[M+CH3COO]- 234.09831 179.2
[M+Na-2H]- 196.05913 139.4
[M]+ 175.08391 137.5
[M]- 175.08501 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.