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]+ 155.106656 134.3
[M+Na]+ 177.088598 143.1
[M-H]- 153.092104 140.5
[M+NH4]+ 172.133203 148.2
[M+K]+ 193.062538 144.7
[M+H-H2O]+ 137.096640 127.5
[M+HCOO]- 199.097581 153.1
[M+CH3COO]- 213.113231 181.7
[M+Na-2H]- 175.074046 140.3
[M]+ 154.09883142 145.0
[M]- 154.09992858 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.