CID 44148318

Propanoic acid, 2-methyl-, bicyclo(2.2.1)hept-5-en-2-yl ester

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(C)C(=O)OC1CC2CC1C=C2
InChI
InChI=1S/C11H16O2/c1-7(2)11(12)13-10-6-8-3-4-9(10)5-8/h3-4,7-10H,5-6H2,1-2H3
InChIKey
UHBUKFKTICTRIO-UHFFFAOYSA-N
Compound name
2-bicyclo[2.2.1]hept-5-enyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

180.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 144.1
[M+Na]+ 203.10426 150.8
[M-H]- 179.10776 147.0
[M+NH4]+ 198.14886 169.3
[M+K]+ 219.07820 149.7
[M+H-H2O]+ 163.11230 139.9
[M+HCOO]- 225.11324 164.7
[M+CH3COO]- 239.12889 182.5
[M+Na-2H]- 201.08971 145.3
[M]+ 180.11449 145.2
[M]- 180.11559 145.2
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