CID 11954026

(r)-3-hydroxy-3-methyl-2-oxopentanoate

Structural Information

Molecular Formula
C6H10O4
SMILES
CC[C@](C)(C(=O)C(=O)O)O
InChI
InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKey
YJVOWRAWFXRESP-ZCFIWIBFSA-N
Compound name
(3R)-3-hydroxy-3-methyl-2-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

146.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 128.4
[M+Na]+ 169.047118 135.3
[M-H]- 145.050624 126.3
[M+NH4]+ 164.091723 148.3
[M+K]+ 185.021058 135.3
[M+H-H2O]+ 129.055160 124.9
[M+HCOO]- 191.056101 147.0
[M+CH3COO]- 205.071751 170.1
[M+Na-2H]- 167.032566 132.9
[M]+ 146.05735142 128.5
[M]- 146.05844858 128.5
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