CID 13370227

3-(1-methylethyl)bicyclo(3.2.1)octane-3-carboxylic acid

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(C)C1(CC2CCC(C2)C1)C(=O)O
InChI
InChI=1S/C12H20O2/c1-8(2)12(11(13)14)6-9-3-4-10(5-9)7-12/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKey
JPPGNPOANGPJEE-UHFFFAOYSA-N
Compound name
3-propan-2-ylbicyclo[3.2.1]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

196.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 148.2
[M+Na]+ 219.13555 153.1
[M-H]- 195.13905 148.9
[M+NH4]+ 214.18015 172.1
[M+K]+ 235.10949 150.9
[M+H-H2O]+ 179.14359 144.3
[M+HCOO]- 241.14453 163.3
[M+CH3COO]- 255.16018 183.4
[M+Na-2H]- 217.12100 150.0
[M]+ 196.14578 144.5
[M]- 196.14688 144.5
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