CID 6365136

Ethyl hydroxymethoxycinnamate

Structural Information

Molecular Formula
C12H14O4
SMILES
CCOC(=O)/C=C/C1=CC=C(C=C1)OCO
InChI
InChI=1S/C12H14O4/c1-2-15-12(14)8-5-10-3-6-11(7-4-10)16-9-13/h3-8,13H,2,9H2,1H3/b8-5+
InChIKey
DBWZHPLQAQFVRY-VMPITWQZSA-N
Compound name
ethyl (E)-3-[4-(hydroxymethoxy)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

222.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 148.3
[M+Na]+ 245.07842 155.2
[M-H]- 221.08192 150.4
[M+NH4]+ 240.12302 166.0
[M+K]+ 261.05236 153.1
[M+H-H2O]+ 205.08646 142.1
[M+HCOO]- 267.08740 170.7
[M+CH3COO]- 281.10305 184.8
[M+Na-2H]- 243.06387 152.5
[M]+ 222.08865 151.4
[M]- 222.08975 151.4
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