CID 79198664

2-(5-hydroxypentanamido)acetic acid

Structural Information

Molecular Formula
C7H13NO4
SMILES
C(CCO)CC(=O)NCC(=O)O
InChI
InChI=1S/C7H13NO4/c9-4-2-1-3-6(10)8-5-7(11)12/h9H,1-5H2,(H,8,10)(H,11,12)
InChIKey
YYDUOQZPMOUVSY-UHFFFAOYSA-N
Compound name
2-(5-hydroxypentanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.08446 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 138.2
[M+Na]+ 198.07368 143.3
[M-H]- 174.07718 135.5
[M+NH4]+ 193.11828 156.5
[M+K]+ 214.04762 142.6
[M+H-H2O]+ 158.08172 133.0
[M+HCOO]- 220.08266 159.0
[M+CH3COO]- 234.09831 177.2
[M+Na-2H]- 196.05913 141.4
[M]+ 175.08391 138.2
[M]- 175.08501 138.2
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.