CID 105428895

Methyl 3-(hydroxymethyl)oxetane-3-carboxylate

Structural Information

Molecular Formula
C6H10O4
SMILES
COC(=O)C1(COC1)CO
InChI
InChI=1S/C6H10O4/c1-9-5(8)6(2-7)3-10-4-6/h7H,2-4H2,1H3
InChIKey
WQRLVZSKUIUNTD-UHFFFAOYSA-N
Compound name
methyl 3-(hydroxymethyl)oxetane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.0579 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 125.4
[M+Na]+ 169.047118 131.0
[M-H]- 145.050624 128.5
[M+NH4]+ 164.091723 140.1
[M+K]+ 185.021058 135.8
[M+H-H2O]+ 129.055160 116.8
[M+HCOO]- 191.056101 145.2
[M+CH3COO]- 205.071751 173.0
[M+Na-2H]- 167.032566 132.8
[M]+ 146.05735142 135.8
[M]- 146.05844858 135.8
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.