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]+ 169.122316 139.4
[M+Na]+ 191.104258 144.1
[M-H]- 167.107764 141.4
[M+NH4]+ 186.148863 163.4
[M+K]+ 207.078198 142.1
[M+H-H2O]+ 151.112300 134.9
[M+HCOO]- 213.113241 156.4
[M+CH3COO]- 227.128891 174.2
[M+Na-2H]- 189.089706 143.0
[M]+ 168.11449142 133.3
[M]- 168.11558858 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