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

2
Patents

262.19327 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 166.2
[M+Na]+ 285.18249 171.2
[M-H]- 261.18599 168.8
[M+NH4]+ 280.22709 183.2
[M+K]+ 301.15643 168.3
[M+H-H2O]+ 245.19053 159.2
[M+HCOO]- 307.19147 187.8
[M+CH3COO]- 321.20712 199.9
[M+Na-2H]- 283.16794 168.1
[M]+ 262.19272 170.9
[M]- 262.19382 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