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
3
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 143.4
[M+Na]+ 205.11990 151.4
[M-H]- 181.12340 146.5
[M+NH4]+ 200.16450 170.9
[M+K]+ 221.09384 149.8
[M+H-H2O]+ 165.12794 140.4
[M+HCOO]- 227.12888 163.6
[M+CH3COO]- 241.14453 182.7
[M+Na-2H]- 203.10535 145.6
[M]+ 182.13013 144.4
[M]- 182.13123 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