CID 5355128

Isopropyl 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
3
Annotation Hits

0
References

8699
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 149.4
[M+Na]+ 243.09916 156.2
[M-H]- 219.10266 152.9
[M+NH4]+ 238.14376 167.9
[M+K]+ 259.07310 154.7
[M+H-H2O]+ 203.10720 143.2
[M+HCOO]- 265.10814 171.8
[M+CH3COO]- 279.12379 189.2
[M+Na-2H]- 241.08461 152.4
[M]+ 220.10939 152.7
[M]- 220.11049 152.7
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