CID 24124

Dimethyl 4-cyclohexene-1,2-dicarboxylate

Structural Information

Molecular Formula
C10H14O4
SMILES
COC(=O)C1CC=CCC1C(=O)OC
InChI
InChI=1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-4,7-8H,5-6H2,1-2H3
InChIKey
DVVAGRMJGUQHLI-UHFFFAOYSA-N
Compound name
dimethyl cyclohex-4-ene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1101
Patents

198.0892 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 141.5
[M+Na]+ 221.078418 147.4
[M-H]- 197.081924 144.7
[M+NH4]+ 216.123023 160.7
[M+K]+ 237.052358 147.6
[M+H-H2O]+ 181.086460 135.7
[M+HCOO]- 243.087401 162.2
[M+CH3COO]- 257.103051 183.0
[M+Na-2H]- 219.063866 144.2
[M]+ 198.08865142 142.3
[M]- 198.08974858 142.3
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