CID 202126

7538-79-6

Structural Information

Molecular Formula
C8H13N2
SMILES
C[N+]1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C8H13N2/c1-9(2)8-4-6-10(3)7-5-8/h4-7H,1-3H3/q+1
InChIKey
GJVSYYDNVIVXCK-UHFFFAOYSA-N
Compound name
N,N,1-trimethylpyridin-1-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

206
Patents

137.10788 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.11516 127.2
[M+Na]+ 160.09710 135.3
[M-H]- 136.10060 131.6
[M+NH4]+ 155.14170 148.1
[M+K]+ 176.07104 129.6
[M+H-H2O]+ 120.10514 123.5
[M+HCOO]- 182.10608 152.1
[M+CH3COO]- 196.12173 173.8
[M+Na-2H]- 158.08255 137.2
[M]+ 137.10733 126.9
[M]- 137.10843 126.9
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