CID 575405

52557-97-8

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1(C2CCC(C2)C1C(=O)OC)C
InChI
InChI=1S/C11H18O2/c1-11(2)8-5-4-7(6-8)9(11)10(12)13-3/h7-9H,4-6H2,1-3H3
InChIKey
RIRHRDQSVNKELB-UHFFFAOYSA-N
Compound name
methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

182.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 142.2
[M+Na]+ 205.11990 150.4
[M+NH4]+ 200.16450 152.6
[M+K]+ 221.09384 146.8
[M-H]- 181.12340 142.0
[M+Na-2H]- 203.10535 144.0
[M]+ 182.13013 143.2
[M]- 182.13123 143.2
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