CID 113319

63512-61-8

Structural Information

Molecular Formula
C13H16NO
SMILES
CC1=[N+](C2=CC=CC=C2C=C1)CCCO
InChI
InChI=1S/C13H16NO/c1-11-7-8-12-5-2-3-6-13(12)14(11)9-4-10-15/h2-3,5-8,15H,4,9-10H2,1H3/q+1
InChIKey
YJJLEQHWTWPXEN-UHFFFAOYSA-N
Compound name
3-(2-methylquinolin-1-ium-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12318 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13046 146.2
[M+Na]+ 225.11240 154.7
[M-H]- 201.11590 148.5
[M+NH4]+ 220.15700 164.6
[M+K]+ 241.08634 145.1
[M+H-H2O]+ 185.12044 142.3
[M+HCOO]- 247.12138 166.5
[M+CH3COO]- 261.13703 178.5
[M+Na-2H]- 223.09785 155.9
[M]+ 202.12263 146.0
[M]- 202.12373 146.0
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.