CID 47250

In 322

Structural Information

Molecular Formula
C14H19N2
SMILES
CN(C)CCC[N+]1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H19N2/c1-15(2)9-5-10-16-11-8-13-6-3-4-7-14(13)12-16/h3-4,6-8,11-12H,5,9-10H2,1-2H3/q+1
InChIKey
XUJORYXKDJOVBU-UHFFFAOYSA-N
Compound name
3-isoquinolin-2-ium-2-yl-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.15483 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.16211 150.6
[M+Na]+ 238.14405 157.3
[M-H]- 214.14755 155.0
[M+NH4]+ 233.18865 169.1
[M+K]+ 254.11799 149.1
[M+H-H2O]+ 198.15209 145.4
[M+HCOO]- 260.15303 173.3
[M+CH3COO]- 274.16868 189.3
[M+Na-2H]- 236.12950 160.5
[M]+ 215.15428 151.2
[M]- 215.15538 151.2
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.