CID 108540

Ethyl bicyclo[2.2.1]heptane-2-carboxylate

Structural Information

Molecular Formula
C10H16O2
SMILES
CCOC(=O)C1CC2CCC1C2
InChI
InChI=1S/C10H16O2/c1-2-12-10(11)9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3
InChIKey
CIHQTYMOCREEQU-UHFFFAOYSA-N
Compound name
ethyl bicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

168.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 140.6
[M+Na]+ 191.104258 147.0
[M-H]- 167.107764 143.1
[M+NH4]+ 186.148863 166.2
[M+K]+ 207.078198 145.8
[M+H-H2O]+ 151.112300 136.4
[M+HCOO]- 213.113241 161.1
[M+CH3COO]- 227.128891 179.0
[M+Na-2H]- 189.089706 142.5
[M]+ 168.11449142 140.5
[M]- 168.11558858 140.5
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