CID 3061985

80109-91-7

Structural Information

Molecular Formula
C10H16N
SMILES
CC(C)(C)C1=C[N+](=CC=C1)C
InChI
InChI=1S/C10H16N/c1-10(2,3)9-6-5-7-11(4)8-9/h5-8H,1-4H3/q+1
InChIKey
NCQSWOZQNFKMLS-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

150.12828 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.135556 132.8
[M+Na]+ 173.117498 141.4
[M-H]- 149.121004 135.9
[M+NH4]+ 168.162103 153.2
[M+K]+ 189.091438 134.4
[M+H-H2O]+ 133.125540 130.1
[M+HCOO]- 195.126481 154.0
[M+CH3COO]- 209.142131 171.3
[M+Na-2H]- 171.102946 143.0
[M]+ 150.12773142 132.3
[M]- 150.12882858 132.3
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