CID 15073278

(2r)-2-hydroxy-2,4-dimethylpentanoic acid

Structural Information

Molecular Formula
C7H14O3
SMILES
CC(C)C[C@](C)(C(=O)O)O
InChI
InChI=1S/C7H14O3/c1-5(2)4-7(3,10)6(8)9/h5,10H,4H2,1-3H3,(H,8,9)/t7-/m1/s1
InChIKey
CWMPKCMFWTVVMX-SSDOTTSWSA-N
Compound name
(2R)-2-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]+ 147.101576 132.0
[M+Na]+ 169.083518 138.2
[M-H]- 145.087024 129.7
[M+NH4]+ 164.128123 152.1
[M+K]+ 185.057458 138.0
[M+H-H2O]+ 129.091560 128.4
[M+HCOO]- 191.092501 149.8
[M+CH3COO]- 205.108151 171.9
[M+Na-2H]- 167.068966 135.7
[M]+ 146.09375142 131.7
[M]- 146.09484858 131.7
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