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

104
Patents

160.07356 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.080836 133.1
[M+Na]+ 183.062778 138.7
[M-H]- 159.066284 132.4
[M+NH4]+ 178.107383 153.5
[M+K]+ 199.036718 137.5
[M+H-H2O]+ 143.070820 129.5
[M+HCOO]- 205.071761 149.4
[M+CH3COO]- 219.087411 167.7
[M+Na-2H]- 181.048226 137.2
[M]+ 160.07301142 127.6
[M]- 160.07410858 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

literature stripe

Patent stripe

patents stripe