CID 6435834

Alpha-amylcinnamyl formate

Structural Information

Molecular Formula
C15H20O2
SMILES
CCCCC/C(=C/C1=CC=CC=C1)/COC=O
InChI
InChI=1S/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3/b15-11-
InChIKey
AWNFWGNFOOJDNO-PTNGSMBKSA-N
Compound name
[(2Z)-2-benzylideneheptyl] formate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

57
Patents

232.14633 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 156.2
[M+Na]+ 255.13555 161.4
[M-H]- 231.13905 158.8
[M+NH4]+ 250.18015 173.9
[M+K]+ 271.10949 158.3
[M+H-H2O]+ 215.14359 149.4
[M+HCOO]- 277.14453 178.7
[M+CH3COO]- 291.16018 191.9
[M+Na-2H]- 253.12100 159.9
[M]+ 232.14578 159.1
[M]- 232.14688 159.1
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