CID 53302223

Methyl 2-hydroxy-3-(tetrahydro-2h-pyran-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]+ 189.11214 141.9
[M+Na]+ 211.09408 145.5
[M-H]- 187.09758 143.7
[M+NH4]+ 206.13868 159.0
[M+K]+ 227.06802 146.7
[M+H-H2O]+ 171.10212 136.1
[M+HCOO]- 233.10306 158.7
[M+CH3COO]- 247.11871 178.2
[M+Na-2H]- 209.07953 145.2
[M]+ 188.10431 140.0
[M]- 188.10541 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