CID 561612

3-methyl-7-phenylhepta-1,3,4-triene

Structural Information

Molecular Formula
C14H16
SMILES
CC(=C=CCCC1=CC=CC=C1)C=C
InChI
InChI=1S/C14H16/c1-3-13(2)9-7-8-12-14-10-5-4-6-11-14/h3-7,10-11H,1,8,12H2,2H3
InChIKey
BVDMKLDCMZVPOA-UHFFFAOYSA-N
Compound name
5-methylhepta-3,4,6-trienylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.1252 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.132476 143.1
[M+Na]+ 207.114418 149.3
[M-H]- 183.117924 146.1
[M+NH4]+ 202.159023 163.0
[M+K]+ 223.088358 144.9
[M+H-H2O]+ 167.122460 137.2
[M+HCOO]- 229.123401 165.7
[M+CH3COO]- 243.139051 183.5
[M+Na-2H]- 205.099866 147.6
[M]+ 184.12465142 142.0
[M]- 184.12574858 142.0
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

No patent data available for this compound.