CID 478277

Norvaline derivative

Structural Information

Molecular Formula
C5H9NO4
SMILES
CCC(=O)C(C(=O)O)(N)O
InChI
InChI=1S/C5H9NO4/c1-2-3(7)5(6,10)4(8)9/h10H,2,6H2,1H3,(H,8,9)
InChIKey
BADANQBWOZJJJH-UHFFFAOYSA-N
Compound name
2-amino-2-hydroxy-3-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

147.05316 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06044 128.6
[M+Na]+ 170.04238 134.9
[M-H]- 146.04588 126.0
[M+NH4]+ 165.08698 147.7
[M+K]+ 186.01632 134.8
[M+H-H2O]+ 130.05042 124.6
[M+HCOO]- 192.05136 147.9
[M+CH3COO]- 206.06701 171.5
[M+Na-2H]- 168.02783 132.6
[M]+ 147.05261 126.4
[M]- 147.05371 126.4
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

patents stripe