CID 46732

64047-68-3

Structural Information

Molecular Formula
C15H25N2
SMILES
C[N+](C)(C)CCCN1CCC2=CC=CC=C2C1
InChI
InChI=1S/C15H25N2/c1-17(2,3)12-6-10-16-11-9-14-7-4-5-8-15(14)13-16/h4-5,7-8H,6,9-13H2,1-3H3/q+1
InChIKey
VUIGUHXKIDHTGE-UHFFFAOYSA-N
Compound name
3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.20177 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.20905 155.3
[M+Na]+ 256.19099 160.2
[M-H]- 232.19449 158.9
[M+NH4]+ 251.23559 173.4
[M+K]+ 272.16493 151.9
[M+H-H2O]+ 216.19903 150.6
[M+HCOO]- 278.19997 174.0
[M+CH3COO]- 292.21562 192.6
[M+Na-2H]- 254.17644 164.7
[M]+ 233.20122 153.1
[M]- 233.20232 153.1
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.