CID 13242

1-heptenylbenzene

Structural Information

Molecular Formula
C13H18
SMILES
CCCCCC=CC1=CC=CC=C1
InChI
InChI=1S/C13H18/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6-12H,2-5H2,1H3
InChIKey
PNLSTDKQAPNMDU-UHFFFAOYSA-N
Compound name
hept-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

842
Patents

174.14085 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14813 140.9
[M+Na]+ 197.13007 147.0
[M-H]- 173.13357 143.8
[M+NH4]+ 192.17467 161.3
[M+K]+ 213.10401 143.6
[M+H-H2O]+ 157.13811 134.9
[M+HCOO]- 219.13905 164.4
[M+CH3COO]- 233.15470 182.1
[M+Na-2H]- 195.11552 147.1
[M]+ 174.14030 141.5
[M]- 174.14140 141.5
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.