CID 126970860

5,5-dimethylspiro[2.3]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1(CC2(C1)CC2C(=O)O)C
InChI
InChI=1S/C9H14O2/c1-8(2)4-9(5-8)3-6(9)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey
KUBWZOMYBASVDV-UHFFFAOYSA-N
Compound name
5,5-dimethylspiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 134.3
[M+Na]+ 177.08860 143.1
[M-H]- 153.09210 140.5
[M+NH4]+ 172.13320 148.2
[M+K]+ 193.06254 144.7
[M+H-H2O]+ 137.09664 127.5
[M+HCOO]- 199.09758 153.1
[M+CH3COO]- 213.11323 181.7
[M+Na-2H]- 175.07405 140.3
[M]+ 154.09883 145.0
[M]- 154.09993 145.0
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.