CID 137347052

Methyl trans-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 134.6
[M+Na]+ 183.06278 139.4
[M+NH4]+ 178.10738 138.8
[M+K]+ 199.03672 136.1
[M-H]- 159.06628 131.1
[M+Na-2H]- 181.04823 136.5
[M]+ 160.07301 132.9
[M]- 160.07411 132.9
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.