CID 5355857

Hexylcinnamic aldehyde dimethyl acetal

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCC1=CC=C(C=C1)/C=C/C(OC)OC
InChI
InChI=1S/C17H26O2/c1-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17(18-2)19-3/h9-14,17H,4-8H2,1-3H3/b14-13+
InChIKey
JOGSEXPLVUGVOJ-BUHFOSPRSA-N
Compound name
1-[(E)-3,3-dimethoxyprop-1-enyl]-4-hexylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.19327 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 166.2
[M+Na]+ 285.182488 171.2
[M-H]- 261.185994 168.8
[M+NH4]+ 280.227093 183.2
[M+K]+ 301.156428 168.3
[M+H-H2O]+ 245.190530 159.2
[M+HCOO]- 307.191471 187.8
[M+CH3COO]- 321.207121 199.9
[M+Na-2H]- 283.167936 168.1
[M]+ 262.19272142 170.9
[M]- 262.19381858 170.9
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