CID 6005821

Fema no. 2062

Structural Information

Molecular Formula
C16H24O2
SMILES
CCCCC/C(=C\C1=CC=CC=C1)/C(OC)OC
InChI
InChI=1S/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13+
InChIKey
QCHZKUPVENJLAW-FYWRMAATSA-N
Compound name
[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

291
Patents

248.17763 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.184906 162.7
[M+Na]+ 271.166848 166.9
[M-H]- 247.170354 165.2
[M+NH4]+ 266.211453 179.8
[M+K]+ 287.140788 164.7
[M+H-H2O]+ 231.174890 155.7
[M+HCOO]- 293.175831 183.6
[M+CH3COO]- 307.191481 196.6
[M+Na-2H]- 269.152296 164.6
[M]+ 248.17708142 166.0
[M]- 248.17817858 166.0
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