CID 10796774

(2r,3r)-2-hydroxy-3-methylpentanoic acid

Structural Information

Molecular Formula
C6H12O3
SMILES
CC[C@@H](C)[C@H](C(=O)O)O
InChI
InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
InChIKey
RILPIWOPNGRASR-RFZPGFLSSA-N
Compound name
(2R,3R)-2-hydroxy-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

14
References

2119
Patents

132.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 128.5
[M+Na]+ 155.06786 134.5
[M-H]- 131.07136 126.2
[M+NH4]+ 150.11246 149.0
[M+K]+ 171.04180 134.6
[M+H-H2O]+ 115.07590 124.5
[M+HCOO]- 177.07684 147.2
[M+CH3COO]- 191.09249 169.6
[M+Na-2H]- 153.05331 130.7
[M]+ 132.07809 127.6
[M]- 132.07919 127.6
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