CID 3050534

66612-09-7

Structural Information

Molecular Formula
C8H13N2
SMILES
C[N+]1=CC=CC=C1N(C)C
InChI
InChI=1S/C8H13N2/c1-9(2)8-6-4-5-7-10(8)3/h4-7H,1-3H3/q+1
InChIKey
TZMLEJWTRVUNMF-UHFFFAOYSA-N
Compound name
N,N,1-trimethylpyridin-1-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

137.10788 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe