CID 110715

Dimethyl bicyclo[2.2.1]hept-5-ene-1,3-dicarboxylate

Structural Information

Molecular Formula
C11H14O4
SMILES
COC(=O)C1CC2(CC1C=C2)C(=O)OC
InChI
InChI=1S/C11H14O4/c1-14-9(12)8-6-11(10(13)15-2)4-3-7(8)5-11/h3-4,7-8H,5-6H2,1-2H3
InChIKey
CPBJWZMYYRQJOI-UHFFFAOYSA-N
Compound name
dimethyl bicyclo[2.2.1]hept-5-ene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.0892 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 147.7
[M+Na]+ 233.07842 155.5
[M-H]- 209.08192 150.9
[M+NH4]+ 228.12302 173.6
[M+K]+ 249.05236 154.8
[M+H-H2O]+ 193.08646 144.3
[M+HCOO]- 255.08740 168.9
[M+CH3COO]- 269.10305 184.5
[M+Na-2H]- 231.06387 150.6
[M]+ 210.08865 151.3
[M]- 210.08975 151.3
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