CID 12962925

Octahydro-1h-indene-3a-carboxylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CCC2(CCCC2C1)C(=O)O
InChI
InChI=1S/C10H16O2/c11-9(12)10-6-2-1-4-8(10)5-3-7-10/h8H,1-7H2,(H,11,12)
InChIKey
OKTPRGBVHMUMMW-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,7a-octahydroindene-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 139.4
[M+Na]+ 191.10426 144.1
[M-H]- 167.10776 141.4
[M+NH4]+ 186.14886 163.4
[M+K]+ 207.07820 142.1
[M+H-H2O]+ 151.11230 134.9
[M+HCOO]- 213.11324 156.4
[M+CH3COO]- 227.12889 174.2
[M+Na-2H]- 189.08971 143.0
[M]+ 168.11449 133.3
[M]- 168.11559 133.3
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