CID 53302223

Methyl 2-hydroxy-3-(oxan-4-yl)propanoate

Structural Information

Molecular Formula
C9H16O4
SMILES
COC(=O)C(CC1CCOCC1)O
InChI
InChI=1S/C9H16O4/c1-12-9(11)8(10)6-7-2-4-13-5-3-7/h7-8,10H,2-6H2,1H3
InChIKey
YOTPEISICWRBNC-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-3-(oxan-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

188.10486 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.112136 141.9
[M+Na]+ 211.094078 145.5
[M-H]- 187.097584 143.7
[M+NH4]+ 206.138683 159.0
[M+K]+ 227.068018 146.7
[M+H-H2O]+ 171.102120 136.1
[M+HCOO]- 233.103061 158.7
[M+CH3COO]- 247.118711 178.2
[M+Na-2H]- 209.079526 145.2
[M]+ 188.10431142 140.0
[M]- 188.10540858 140.0
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