CID 182120

64326-91-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

166
Patents

150.12828 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.13556 132.8
[M+Na]+ 173.11750 141.4
[M-H]- 149.12100 135.9
[M+NH4]+ 168.16210 153.2
[M+K]+ 189.09144 134.4
[M+H-H2O]+ 133.12554 130.1
[M+HCOO]- 195.12648 154.0
[M+CH3COO]- 209.14213 171.3
[M+Na-2H]- 171.10295 143.0
[M]+ 150.12773 132.3
[M]- 150.12883 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

literature stripe

Patent stripe

patents stripe