CID 5460160

(r)-4-dehydropantoate

Structural Information

Molecular Formula
C6H10O4
SMILES
CC(C)(C=O)[C@H](C(=O)O)O
InChI
InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h3-4,8H,1-2H3,(H,9,10)/t4-/m0/s1
InChIKey
HVMPYIKTQSOMHA-BYPYZUCNSA-N
Compound name
(2R)-2-hydroxy-3,3-dimethyl-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

146.0579 Da
Monoisotopic Mass

-0.5
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

No literature data available for this compound.

Patent stripe

patents stripe