CID 132353765

6,6-dimethylspiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1(CC2(C1)CC(C2)C(=O)O)C
InChI
InChI=1S/C10H16O2/c1-9(2)5-10(6-9)3-7(4-10)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKey
QSZYQEZFXKGUNX-UHFFFAOYSA-N
Compound name
2,2-dimethylspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 144.6
[M+Na]+ 191.10426 145.3
[M+NH4]+ 186.14886 147.2
[M+K]+ 207.07820 141.3
[M-H]- 167.10776 140.6
[M+Na-2H]- 189.08971 145.6
[M]+ 168.11449 141.5
[M]- 168.11559 141.5
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

No patent data available for this compound.