CID 3064120

Pan-w-34

Structural Information

Molecular Formula
C11H17N2
SMILES
CC(C)(C)N=CC1=CC=[N+](C=C1)C
InChI
InChI=1S/C11H17N2/c1-11(2,3)12-9-10-5-7-13(4)8-6-10/h5-9H,1-4H3/q+1
InChIKey
VZGXRMDFQMBYFU-UHFFFAOYSA-N
Compound name
N-tert-butyl-1-(1-methylpyridin-1-ium-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.13918 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.146456 140.1
[M+Na]+ 200.128398 148.2
[M-H]- 176.131904 144.4
[M+NH4]+ 195.173003 159.8
[M+K]+ 216.102338 141.0
[M+H-H2O]+ 160.136440 136.5
[M+HCOO]- 222.137381 163.7
[M+CH3COO]- 236.153031 180.0
[M+Na-2H]- 198.113846 150.6
[M]+ 177.13863142 140.2
[M]- 177.13972858 140.2
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.