CID 131343487

Methyl 2-(3-hydroxyoxetan-3-yl)acetate

Structural Information

Molecular Formula
C6H10O4
SMILES
COC(=O)CC1(COC1)O
InChI
InChI=1S/C6H10O4/c1-9-5(7)2-6(8)3-10-4-6/h8H,2-4H2,1H3
InChIKey
VHZHXQDGOYOBRJ-UHFFFAOYSA-N
Compound name
methyl 2-(3-hydroxyoxetan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

146.0579 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 125.4
[M+Na]+ 169.04712 131.0
[M-H]- 145.05062 128.5
[M+NH4]+ 164.09172 140.1
[M+K]+ 185.02106 135.8
[M+H-H2O]+ 129.05516 116.8
[M+HCOO]- 191.05610 145.2
[M+CH3COO]- 205.07175 173.0
[M+Na-2H]- 167.03257 132.8
[M]+ 146.05735 135.8
[M]- 146.05845 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

patents stripe