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]+ 175.09648 134.4
[M+Na]+ 197.07842 142.2
[M-H]- 173.08192 137.3
[M+NH4]+ 192.12302 151.8
[M+K]+ 213.05236 145.8
[M+H-H2O]+ 157.08646 129.4
[M+HCOO]- 219.08740 151.8
[M+CH3COO]- 233.10305 179.3
[M+Na-2H]- 195.06387 141.6
[M]+ 174.08865 145.4
[M]- 174.08975 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.