CID 155819651

2,2,4,4-tetramethyloxolane-3-carboxylic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
CC1(COC(C1C(=O)O)(C)C)C
InChI
InChI=1S/C9H16O3/c1-8(2)5-12-9(3,4)6(8)7(10)11/h6H,5H2,1-4H3,(H,10,11)
InChIKey
OOXZINGOZDHBHZ-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyloxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 133.0
[M+Na]+ 195.099158 141.6
[M-H]- 171.102664 136.5
[M+NH4]+ 190.143763 157.6
[M+K]+ 211.073098 142.0
[M+H-H2O]+ 155.107200 130.9
[M+HCOO]- 217.108141 152.8
[M+CH3COO]- 231.123791 177.2
[M+Na-2H]- 193.084606 138.1
[M]+ 172.10939142 134.1
[M]- 172.11048858 134.1
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.