CID 89515766

2,3,3-trimethyl-4-oxooxetane-2-carboxylic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
CC1(C(=O)OC1(C)C(=O)O)C
InChI
InChI=1S/C7H10O4/c1-6(2)5(10)11-7(6,3)4(8)9/h1-3H3,(H,8,9)
InChIKey
NJNGTSPWIRALHT-UHFFFAOYSA-N
Compound name
2,3,3-trimethyl-4-oxooxetane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

158.0579 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 127.0
[M+Na]+ 181.04712 135.1
[M-H]- 157.05062 131.1
[M+NH4]+ 176.09172 143.7
[M+K]+ 197.02106 139.1
[M+H-H2O]+ 141.05516 120.5
[M+HCOO]- 203.05610 146.5
[M+CH3COO]- 217.07175 177.9
[M+Na-2H]- 179.03257 134.0
[M]+ 158.05735 138.3
[M]- 158.05845 138.3
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

patents stripe