CID 91812220

91968-35-3

Structural Information

Molecular Formula
C11H16O2
SMILES
C1CC2(C1)CC3(C2)CC(C3)C(=O)O
InChI
InChI=1S/C11H16O2/c12-9(13)8-4-11(5-8)6-10(7-11)2-1-3-10/h8H,1-7H2,(H,12,13)
InChIKey
CVKCBSAWXUGYTK-UHFFFAOYSA-N
Compound name
dispiro[3.1.36.14]decane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

180.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 131.4
[M+Na]+ 203.10426 134.0
[M-H]- 179.10776 137.0
[M+NH4]+ 198.14886 135.0
[M+K]+ 219.07820 139.2
[M+H-H2O]+ 163.11230 117.9
[M+HCOO]- 225.11324 144.2
[M+CH3COO]- 239.12889 205.0
[M+Na-2H]- 201.08971 135.7
[M]+ 180.11449 149.9
[M]- 180.11559 149.9
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