CID 165655262

2228457-50-7

Structural Information

Molecular Formula
C7H12O4
SMILES
CC1(COC1)C(C(=O)OC)O
InChI
InChI=1S/C7H12O4/c1-7(3-11-4-7)5(8)6(9)10-2/h5,8H,3-4H2,1-2H3
InChIKey
FXCHZKFMLHCPFC-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-2-(3-methyloxetan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.07356 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 131.9
[M+Na]+ 183.06278 136.8
[M-H]- 159.06628 134.9
[M+NH4]+ 178.10738 146.0
[M+K]+ 199.03672 141.8
[M+H-H2O]+ 143.07082 123.1
[M+HCOO]- 205.07176 150.4
[M+CH3COO]- 219.08741 176.8
[M+Na-2H]- 181.04823 137.4
[M]+ 160.07301 142.0
[M]- 160.07411 142.0
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.