CID 165983588

125258-89-1

Structural Information

Molecular Formula
C10H16O4
SMILES
COC(=O)[C@@H]1CCCC[C@@H]1CC(=O)O
InChI
InChI=1S/C10H16O4/c1-14-10(13)8-5-3-2-4-7(8)6-9(11)12/h7-8H,2-6H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKey
DKGXOEKSNSFCKS-HTQZYQBOSA-N
Compound name
2-[(1R,2R)-2-methoxycarbonylcyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 143.9
[M+Na]+ 223.09408 148.3
[M-H]- 199.09758 145.3
[M+NH4]+ 218.13868 162.1
[M+K]+ 239.06802 147.8
[M+H-H2O]+ 183.10212 138.4
[M+HCOO]- 245.10306 161.6
[M+CH3COO]- 259.11871 181.5
[M+Na-2H]- 221.07953 145.1
[M]+ 200.10431 141.5
[M]- 200.10541 141.5
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.