CID 15312317

Ethyl bicyclo[2.2.1]hept-2-ylacetate

Structural Information

Molecular Formula
C11H18O2
SMILES
CCOC(=O)CC1CC2CCC1C2
InChI
InChI=1S/C11H18O2/c1-2-13-11(12)7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3
InChIKey
AUTDAVPVPASYDM-UHFFFAOYSA-N
Compound name
ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

182.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 145.3
[M+Na]+ 205.119898 151.3
[M-H]- 181.123404 147.7
[M+NH4]+ 200.164503 170.4
[M+K]+ 221.093838 149.8
[M+H-H2O]+ 165.127940 141.0
[M+HCOO]- 227.128881 165.5
[M+CH3COO]- 241.144531 182.0
[M+Na-2H]- 203.105346 146.7
[M]+ 182.13013142 145.6
[M]- 182.13122858 145.6
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