CID 44147682

80916-48-9

Structural Information

Molecular Formula
C11H18O2
SMILES
CCOC(=O)C1CC2CCC1(C2)C
InChI
InChI=1S/C11H18O2/c1-3-13-10(12)9-6-8-4-5-11(9,2)7-8/h8-9H,3-7H2,1-2H3
InChIKey
BQWABSSMSUOVEE-UHFFFAOYSA-N
Compound name
ethyl 1-methylbicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 144.7
[M+Na]+ 205.119898 151.7
[M-H]- 181.123404 147.4
[M+NH4]+ 200.164503 171.8
[M+K]+ 221.093838 150.1
[M+H-H2O]+ 165.127940 141.2
[M+HCOO]- 227.128881 164.9
[M+CH3COO]- 241.144531 181.6
[M+Na-2H]- 203.105346 147.3
[M]+ 182.13013142 145.2
[M]- 182.13122858 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

No patent data available for this compound.