CID 137

5-aminolevulinic acid

Structural Information

Molecular Formula
C5H9NO3
SMILES
C(CC(=O)O)C(=O)CN
InChI
InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
InChIKey
ZGXJTSGNIOSYLO-UHFFFAOYSA-N
Compound name
5-amino-4-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

7814
References

75640
Patents

131.05824 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 126.2
[M+Na]+ 154.047458 132.6
[M-H]- 130.050964 124.7
[M+NH4]+ 149.092063 146.7
[M+K]+ 170.021398 132.4
[M+H-H2O]+ 114.055500 121.4
[M+HCOO]- 176.056441 148.3
[M+CH3COO]- 190.072091 171.5
[M+Na-2H]- 152.032906 129.8
[M]+ 131.05769142 124.9
[M]- 131.05878858 124.9
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