CID 137944546

Methyl 2-(4-hydroxyoxan-2-yl)acetate

Structural Information

Molecular Formula
C8H14O4
SMILES
COC(=O)CC1CC(CCO1)O
InChI
InChI=1S/C8H14O4/c1-11-8(10)5-7-4-6(9)2-3-12-7/h6-7,9H,2-5H2,1H3
InChIKey
DXXXGONPJOBGMC-UHFFFAOYSA-N
Compound name
methyl 2-(4-hydroxyoxan-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

174.0892 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 136.3
[M+Na]+ 197.07842 141.6
[M-H]- 173.08192 138.7
[M+NH4]+ 192.12302 154.5
[M+K]+ 213.05236 142.6
[M+H-H2O]+ 157.08646 131.0
[M+HCOO]- 219.08740 154.6
[M+CH3COO]- 233.10305 175.4
[M+Na-2H]- 195.06387 140.8
[M]+ 174.08865 135.1
[M]- 174.08975 135.1
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