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]+ 169.122316 135.2
[M+Na]+ 191.104258 139.9
[M-H]- 167.107764 139.9
[M+NH4]+ 186.148863 145.7
[M+K]+ 207.078198 143.8
[M+H-H2O]+ 151.112300 124.3
[M+HCOO]- 213.113241 151.3
[M+CH3COO]- 227.128891 190.4
[M+Na-2H]- 189.089706 139.6
[M]+ 168.11449142 150.0
[M]- 168.11558858 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.