CID 12561828

3-hydroxy-2,4-dimethylpentanoic acid

Structural Information

Molecular Formula
C7H14O3
SMILES
CC(C)C(C(C)C(=O)O)O
InChI
InChI=1S/C7H14O3/c1-4(2)6(8)5(3)7(9)10/h4-6,8H,1-3H3,(H,9,10)
InChIKey
ICRIJRMABYUYBG-UHFFFAOYSA-N
Compound name
3-hydroxy-2,4-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

146.0943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 132.7
[M+Na]+ 169.08352 140.2
[M+NH4]+ 164.12812 138.7
[M+K]+ 185.05746 138.4
[M-H]- 145.08702 129.5
[M+Na-2H]- 167.06897 133.3
[M]+ 146.09375 132.3
[M]- 146.09485 132.3
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