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

22
Patents

146.0943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 133.0
[M+Na]+ 169.083518 138.3
[M-H]- 145.087024 130.6
[M+NH4]+ 164.128123 152.8
[M+K]+ 185.057458 138.7
[M+H-H2O]+ 129.091560 128.9
[M+HCOO]- 191.092501 150.4
[M+CH3COO]- 205.108151 173.6
[M+Na-2H]- 167.068966 133.4
[M]+ 146.09375142 131.8
[M]- 146.09484858 131.8
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