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 135.2
[M+Na]+ 191.10426 139.9
[M-H]- 167.10776 139.9
[M+NH4]+ 186.14886 145.7
[M+K]+ 207.07820 143.8
[M+H-H2O]+ 151.11230 124.3
[M+HCOO]- 213.11324 151.3
[M+CH3COO]- 227.12889 190.4
[M+Na-2H]- 189.08971 139.6
[M]+ 168.11449 150.0
[M]- 168.11559 150.0
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.