CID 103659

Einecs 258-005-0

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1(CC2CC(C1C2)C(=O)OC)C
InChI
InChI=1S/C11H18O2/c1-11(2)6-7-4-8(9(11)5-7)10(12)13-3/h7-9H,4-6H2,1-3H3
InChIKey
ZVLGEOXMDTXXEI-UHFFFAOYSA-N
Compound name
methyl 6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3
Patents

182.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 143.4
[M+Na]+ 205.119898 151.4
[M-H]- 181.123404 146.5
[M+NH4]+ 200.164503 170.9
[M+K]+ 221.093838 149.8
[M+H-H2O]+ 165.127940 140.4
[M+HCOO]- 227.128881 163.6
[M+CH3COO]- 241.144531 182.7
[M+Na-2H]- 203.105346 145.6
[M]+ 182.13013142 144.4
[M]- 182.13122858 144.4
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