CID 5355128

Isopropyl p-methoxycinnamate

Structural Information

Molecular Formula
C13H16O3
SMILES
CC(C)OC(=O)/C=C/C1=CC=C(C=C1)OC
InChI
InChI=1S/C13H16O3/c1-10(2)16-13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3/b9-6+
InChIKey
XATKDVHSLQMHSY-RMKNXTFCSA-N
Compound name
propan-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8183
Patents

220.10994 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 150.0
[M+Na]+ 243.09916 161.6
[M+NH4]+ 238.14376 157.1
[M+K]+ 259.07310 155.8
[M-H]- 219.10266 150.9
[M+Na-2H]- 241.08461 155.3
[M]+ 220.10939 151.7
[M]- 220.11049 151.7
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