CID 3058541

Pyridinium, 1-amino-4-tert-butyl-, iodide

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

0
Patents

151.12352 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.13080 132.7
[M+Na]+ 174.11274 140.9
[M-H]- 150.11624 135.4
[M+NH4]+ 169.15734 152.5
[M+K]+ 190.08668 133.5
[M+H-H2O]+ 134.12078 129.8
[M+HCOO]- 196.12172 154.7
[M+CH3COO]- 210.13737 172.1
[M+Na-2H]- 172.09819 142.7
[M]+ 151.12297 130.1
[M]- 151.12407 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.