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]+ 161.080836 131.9
[M+Na]+ 183.062778 136.8
[M-H]- 159.066284 134.9
[M+NH4]+ 178.107383 146.0
[M+K]+ 199.036718 141.8
[M+H-H2O]+ 143.070820 123.1
[M+HCOO]- 205.071761 150.4
[M+CH3COO]- 219.087411 176.8
[M+Na-2H]- 181.048226 137.4
[M]+ 160.07301142 142.0
[M]- 160.07410858 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.