CID 79706

Methyl 3-(4-hydroxyphenyl)propionate

Structural Information

Molecular Formula
C10H12O3
SMILES
COC(=O)CCC1=CC=C(C=C1)O
InChI
InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3
InChIKey
XRAMJHXWXCMGJM-UHFFFAOYSA-N
Compound name
methyl 3-(4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

1750
Patents

180.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 137.2
[M+Na]+ 203.067858 144.8
[M-H]- 179.071364 139.7
[M+NH4]+ 198.112463 156.8
[M+K]+ 219.041798 143.2
[M+H-H2O]+ 163.075900 131.7
[M+HCOO]- 225.076841 159.9
[M+CH3COO]- 239.092491 178.2
[M+Na-2H]- 201.053306 142.5
[M]+ 180.07809142 139.0
[M]- 180.07918858 139.0
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