CID 3058541

75375-27-8

Structural Information

Molecular Formula
C9H15N2
SMILES
CC(C)(C)C1=CC=[N+](C=C1)N
InChI
InChI=1S/C9H15N2/c1-9(2,3)8-4-6-11(10)7-5-8/h4-7H,10H2,1-3H3/q+1
InChIKey
NBZDVRSONFCPAL-UHFFFAOYSA-N
Compound name
4-tert-butylpyridin-1-ium-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

151.12352 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.130796 132.7
[M+Na]+ 174.112738 140.9
[M-H]- 150.116244 135.4
[M+NH4]+ 169.157343 152.5
[M+K]+ 190.086678 133.5
[M+H-H2O]+ 134.120780 129.8
[M+HCOO]- 196.121721 154.7
[M+CH3COO]- 210.137371 172.1
[M+Na-2H]- 172.098186 142.7
[M]+ 151.12297142 130.1
[M]- 151.12406858 130.1
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

No patent data available for this compound.