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

6
Patents

160.07356 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.080836 131.2
[M+Na]+ 183.062778 137.3
[M-H]- 159.066284 133.9
[M+NH4]+ 178.107383 146.9
[M+K]+ 199.036718 140.9
[M+H-H2O]+ 143.070820 122.7
[M+HCOO]- 205.071761 151.5
[M+CH3COO]- 219.087411 177.1
[M+Na-2H]- 181.048226 136.3
[M]+ 160.07301142 141.7
[M]- 160.07410858 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

patents stripe