CID 2733752

Methyl (2r)-2-(4-hydroxyphenoxy)propanoate

Structural Information

Molecular Formula
C10H12O4
SMILES
C[C@H](C(=O)OC)OC1=CC=C(C=C1)O
InChI
InChI=1S/C10H12O4/c1-7(10(12)13-2)14-9-5-3-8(11)4-6-9/h3-7,11H,1-2H3/t7-/m1/s1
InChIKey
UUYSCNGPNOYZMC-SSDOTTSWSA-N
Compound name
methyl (2R)-2-(4-hydroxyphenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

82
Patents

196.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 140.2
[M+Na]+ 219.062778 147.4
[M-H]- 195.066284 142.8
[M+NH4]+ 214.107383 158.9
[M+K]+ 235.036718 146.9
[M+H-H2O]+ 179.070820 134.5
[M+HCOO]- 241.071761 162.1
[M+CH3COO]- 255.087411 181.2
[M+Na-2H]- 217.048226 144.3
[M]+ 196.07301142 142.8
[M]- 196.07410858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe