CID 38295

Dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

Structural Information

Molecular Formula
C11H14O4
SMILES
COC(=O)C1C2CC(C1C(=O)OC)C=C2
InChI
InChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3-4,6-9H,5H2,1-2H3
InChIKey
VGQLNJWOULYVFV-UHFFFAOYSA-N
Compound name
dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

5413
Patents

210.0892 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 147.3
[M+Na]+ 233.07842 155.0
[M-H]- 209.08192 150.6
[M+NH4]+ 228.12302 171.4
[M+K]+ 249.05236 154.4
[M+H-H2O]+ 193.08646 143.5
[M+HCOO]- 255.08740 168.6
[M+CH3COO]- 269.10305 186.2
[M+Na-2H]- 231.06387 148.3
[M]+ 210.08865 151.0
[M]- 210.08975 151.0
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