CID 6435835

Alpha-amylcinnamyl isovalerate

Structural Information

Molecular Formula
C19H28O2
SMILES
CCCCC/C(=C/C1=CC=CC=C1)/COC(=O)CC(C)C
InChI
InChI=1S/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3/b18-14-
InChIKey
RNKTVAMGERKTEZ-JXAWBTAJSA-N
Compound name
[(2Z)-2-benzylideneheptyl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

73
Patents

288.20892 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21620 174.2
[M+Na]+ 311.19814 184.3
[M+NH4]+ 306.24274 180.8
[M+K]+ 327.17208 177.1
[M-H]- 287.20164 175.2
[M+Na-2H]- 309.18359 178.2
[M]+ 288.20837 175.7
[M]- 288.20947 175.7
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