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

156
Patents

198.0892 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 141.5
[M+Na]+ 221.07842 147.4
[M-H]- 197.08192 144.7
[M+NH4]+ 216.12302 160.7
[M+K]+ 237.05236 147.6
[M+H-H2O]+ 181.08646 135.7
[M+HCOO]- 243.08740 162.2
[M+CH3COO]- 257.10305 183.0
[M+Na-2H]- 219.06387 144.2
[M]+ 198.08865 142.3
[M]- 198.08975 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