CID 64137839

5,5-dimethyl-6-oxaspiro[2.5]octane-1-carboxylic acid

Structural Information

Molecular Formula
C10H16O3
SMILES
CC1(CC2(CCO1)CC2C(=O)O)C
InChI
InChI=1S/C10H16O3/c1-9(2)6-10(3-4-13-9)5-7(10)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKey
UBXDJATULWHIRT-UHFFFAOYSA-N
Compound name
5,5-dimethyl-6-oxaspiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 140.6
[M+Na]+ 207.09916 149.2
[M-H]- 183.10266 146.8
[M+NH4]+ 202.14376 158.0
[M+K]+ 223.07310 150.0
[M+H-H2O]+ 167.10720 136.9
[M+HCOO]- 229.10814 157.3
[M+CH3COO]- 243.12379 181.7
[M+Na-2H]- 205.08461 147.3
[M]+ 184.10939 142.0
[M]- 184.11049 142.0
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.