CID 10965525

Dimethyl cyclohexane-1,1-dicarboxylate

Structural Information

Molecular Formula
C10H16O4
SMILES
COC(=O)C1(CCCCC1)C(=O)OC
InChI
InChI=1S/C10H16O4/c1-13-8(11)10(9(12)14-2)6-4-3-5-7-10/h3-7H2,1-2H3
InChIKey
GGCUUOGRTPMFQK-UHFFFAOYSA-N
Compound name
dimethyl cyclohexane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1622
Patents

200.10486 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 143.9
[M+Na]+ 223.094078 148.8
[M-H]- 199.097584 146.8
[M+NH4]+ 218.138683 164.7
[M+K]+ 239.068018 149.5
[M+H-H2O]+ 183.102120 139.0
[M+HCOO]- 245.103061 163.1
[M+CH3COO]- 259.118711 181.8
[M+Na-2H]- 221.079526 147.5
[M]+ 200.10431142 143.3
[M]- 200.10540858 143.3
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