CID 137347052

Methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate

Structural Information

Molecular Formula
C7H12O4
SMILES
COC(=O)C1(CC(C1)O)OC
InChI
InChI=1S/C7H12O4/c1-10-6(9)7(11-2)3-5(8)4-7/h5,8H,3-4H2,1-2H3
InChIKey
GXVXCKZDBNGPFG-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.07356 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 131.2
[M+Na]+ 183.06278 137.3
[M-H]- 159.06628 133.9
[M+NH4]+ 178.10738 146.9
[M+K]+ 199.03672 140.9
[M+H-H2O]+ 143.07082 122.7
[M+HCOO]- 205.07176 151.5
[M+CH3COO]- 219.08741 177.1
[M+Na-2H]- 181.04823 136.3
[M]+ 160.07301 141.7
[M]- 160.07411 141.7
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.