CID 17217

2489-86-3

Structural Information

Molecular Formula
C13H12
SMILES
C=CCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H12/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-5,7-10H,1,6H2
InChIKey
RJFCFNWLPJRCLR-UHFFFAOYSA-N
Compound name
1-prop-2-enylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39410
Patents

168.0939 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.101176 134.2
[M+Na]+ 191.083118 142.7
[M-H]- 167.086624 138.8
[M+NH4]+ 186.127723 156.0
[M+K]+ 207.057058 138.4
[M+H-H2O]+ 151.091160 128.3
[M+HCOO]- 213.092101 157.6
[M+CH3COO]- 227.107751 181.2
[M+Na-2H]- 189.068566 143.0
[M]+ 168.09335142 134.0
[M]- 168.09444858 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe