CID 13370226

3-ethylbicyclo(3.2.1)octane-3-carboxylic acid

Structural Information

Molecular Formula
C11H18O2
SMILES
CCC1(CC2CCC(C2)C1)C(=O)O
InChI
InChI=1S/C11H18O2/c1-2-11(10(12)13)6-8-3-4-9(5-8)7-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKey
ITPRTGNCXNGJRW-UHFFFAOYSA-N
Compound name
3-ethylbicyclo[3.2.1]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 142.6
[M+Na]+ 205.11990 151.0
[M+NH4]+ 200.16450 152.9
[M+K]+ 221.09384 145.3
[M-H]- 181.12340 142.6
[M+Na-2H]- 203.10535 145.0
[M]+ 182.13013 143.6
[M]- 182.13123 143.6
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