CID 310809

2408957-59-3

Structural Information

Molecular Formula
C8H14O4
SMILES
CC1(C(C(O1)(C)C)(C(=O)O)O)C
InChI
InChI=1S/C8H14O4/c1-6(2)8(11,5(9)10)7(3,4)12-6/h11H,1-4H3,(H,9,10)
InChIKey
HCYLJZNYUQTWGP-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0892 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 134.4
[M+Na]+ 197.078418 142.2
[M-H]- 173.081924 137.3
[M+NH4]+ 192.123023 151.8
[M+K]+ 213.052358 145.8
[M+H-H2O]+ 157.086460 129.4
[M+HCOO]- 219.087401 151.8
[M+CH3COO]- 233.103051 179.3
[M+Na-2H]- 195.063866 141.6
[M]+ 174.08865142 145.4
[M]- 174.08974858 145.4
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.