CID 55299621

2-hydroxy-3,3-dimethylpentanoic acid

Structural Information

Molecular Formula
C7H14O3
SMILES
CCC(C)(C)C(C(=O)O)O
InChI
InChI=1S/C7H14O3/c1-4-7(2,3)5(8)6(9)10/h5,8H,4H2,1-3H3,(H,9,10)
InChIKey
PRTNGLKYNXZIKS-UHFFFAOYSA-N
Compound name
2-hydroxy-3,3-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

146.0943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 132.0
[M+Na]+ 169.08352 138.2
[M-H]- 145.08702 129.7
[M+NH4]+ 164.12812 152.1
[M+K]+ 185.05746 138.0
[M+H-H2O]+ 129.09156 128.4
[M+HCOO]- 191.09250 149.8
[M+CH3COO]- 205.10815 171.9
[M+Na-2H]- 167.06897 135.7
[M]+ 146.09375 131.7
[M]- 146.09485 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