CID 6076971

2-benzylideneheptanol

Structural Information

Molecular Formula
C14H20O
SMILES
CCCCC/C(=C/C1=CC=CC=C1)/CO
InChI
InChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11-
InChIKey
LIPHCKNQPJXUQF-KAMYIIQDSA-N
Compound name
(2Z)-2-benzylideneheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

836
Patents

204.15141 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 150.2
[M+Na]+ 227.14063 155.2
[M-H]- 203.14413 151.6
[M+NH4]+ 222.18523 168.6
[M+K]+ 243.11457 151.5
[M+H-H2O]+ 187.14867 144.1
[M+HCOO]- 249.14961 171.1
[M+CH3COO]- 263.16526 185.1
[M+Na-2H]- 225.12608 154.0
[M]+ 204.15086 150.1
[M]- 204.15196 150.1
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

No patent data available for this compound.