CID 77301

2-isopropenylnaphthalene

Structural Information

Molecular Formula
C13H12
SMILES
CC(=C)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H12/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-9H,1H2,2H3
InChIKey
ANCUXNXTHQXICN-UHFFFAOYSA-N
Compound name
2-prop-1-en-2-ylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

651
Patents

168.0939 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10118 134.4
[M+Na]+ 191.08312 142.6
[M-H]- 167.08662 139.1
[M+NH4]+ 186.12772 156.1
[M+K]+ 207.05706 138.8
[M+H-H2O]+ 151.09116 128.7
[M+HCOO]- 213.09210 156.8
[M+CH3COO]- 227.10775 182.0
[M+Na-2H]- 189.06857 142.0
[M]+ 168.09335 133.6
[M]- 168.09445 133.6
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