CID 15174090

Lithium(1+) 1,2-dihydroxycyclohexane-1-carboxylate

Structural Information

Molecular Formula
C7H12O4
SMILES
C1CCC(C(C1)O)(C(=O)O)O
InChI
InChI=1S/C7H12O4/c8-5-3-1-2-4-7(5,11)6(9)10/h5,8,11H,1-4H2,(H,9,10)
InChIKey
BFEVGTMIYGOLSI-UHFFFAOYSA-N
Compound name
1,2-dihydroxycyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

103
Patents

160.07356 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 133.1
[M+Na]+ 183.06278 138.7
[M-H]- 159.06628 132.4
[M+NH4]+ 178.10738 153.5
[M+K]+ 199.03672 137.5
[M+H-H2O]+ 143.07082 129.5
[M+HCOO]- 205.07176 149.4
[M+CH3COO]- 219.08741 167.7
[M+Na-2H]- 181.04823 137.2
[M]+ 160.07301 127.6
[M]- 160.07411 127.6
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

No patent data available for this compound.