CID 424078

Idt307

Structural Information

Molecular Formula
C14H17N2
SMILES
C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C14H17N2/c1-15(2)14-6-4-12(5-7-14)13-8-10-16(3)11-9-13/h4-11H,1-3H3/q+1
InChIKey
STISAGSIGFOUGZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(1-methylpyridin-1-ium-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

193
Patents

213.13918 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14646 149.5
[M+Na]+ 236.12840 157.2
[M-H]- 212.13190 156.8
[M+NH4]+ 231.17300 167.1
[M+K]+ 252.10234 149.0
[M+H-H2O]+ 196.13644 143.9
[M+HCOO]- 258.13738 173.8
[M+CH3COO]- 272.15303 188.6
[M+Na-2H]- 234.11385 158.0
[M]+ 213.13863 149.2
[M]- 213.13973 149.2
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