CID 439983

772325-69-6

Structural Information

Molecular Formula
C5H9NO3
SMILES
CC(=O)C[C@H](C(=O)O)N
InChI
InChI=1S/C5H9NO3/c1-3(7)2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m1/s1
InChIKey
QUCHWTCTBHQQDU-SCSAIBSYSA-N
Compound name
(2R)-2-amino-4-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

680
Patents

131.05824 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 126.5
[M+Na]+ 154.04746 132.7
[M-H]- 130.05096 125.2
[M+NH4]+ 149.09206 146.9
[M+K]+ 170.02140 133.0
[M+H-H2O]+ 114.05550 121.9
[M+HCOO]- 176.05644 147.6
[M+CH3COO]- 190.07209 172.5
[M+Na-2H]- 152.03291 128.8
[M]+ 131.05769 124.6
[M]- 131.05879 124.6
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