CID 113001

63059-61-0

Structural Information

Molecular Formula
C13H17N2
SMILES
CC1=[N+](C2=C(C=C1)C=C(C=C2)N(C)C)C
InChI
InChI=1S/C13H17N2/c1-10-5-6-11-9-12(14(2)3)7-8-13(11)15(10)4/h5-9H,1-4H3/q+1
InChIKey
BNVSKYZBTLRUFY-UHFFFAOYSA-N
Compound name
N,N,1,2-tetramethylquinolin-1-ium-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

201.13918 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14646 145.0
[M+Na]+ 224.12840 154.2
[M-H]- 200.13190 150.5
[M+NH4]+ 219.17300 164.8
[M+K]+ 240.10234 146.3
[M+H-H2O]+ 184.13644 140.7
[M+HCOO]- 246.13738 168.1
[M+CH3COO]- 260.15303 188.5
[M+Na-2H]- 222.11385 154.2
[M]+ 201.13863 146.1
[M]- 201.13973 146.1
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

patents stripe