CID 21221940

3-hydroxy-2,2-dimethylpentanedioic acid

Structural Information

Molecular Formula
C7H12O5
SMILES
CC(C)(C(CC(=O)O)O)C(=O)O
InChI
InChI=1S/C7H12O5/c1-7(2,6(11)12)4(8)3-5(9)10/h4,8H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKey
CKQZCHBLZBPVRZ-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2-dimethylpentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

176.06847 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07575 136.8
[M+Na]+ 199.05769 142.8
[M+NH4]+ 194.10229 140.8
[M+K]+ 215.03163 142.9
[M-H]- 175.06119 131.3
[M+Na-2H]- 197.04314 136.1
[M]+ 176.06792 135.4
[M]- 176.06902 135.4
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