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
6
Annotation Hits

0
References

53
Patents

232.14633 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 156.2
[M+Na]+ 255.135548 161.4
[M-H]- 231.139054 158.8
[M+NH4]+ 250.180153 173.9
[M+K]+ 271.109488 158.3
[M+H-H2O]+ 215.143590 149.4
[M+HCOO]- 277.144531 178.7
[M+CH3COO]- 291.160181 191.9
[M+Na-2H]- 253.120996 159.9
[M]+ 232.14578142 159.1
[M]- 232.14687858 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