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]+ 173.11722 133.0
[M+Na]+ 195.09916 141.6
[M-H]- 171.10266 136.5
[M+NH4]+ 190.14376 157.6
[M+K]+ 211.07310 142.0
[M+H-H2O]+ 155.10720 130.9
[M+HCOO]- 217.10814 152.8
[M+CH3COO]- 231.12379 177.2
[M+Na-2H]- 193.08461 138.1
[M]+ 172.10939 134.1
[M]- 172.11049 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.