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]+ 178.14646 140.1
[M+Na]+ 200.12840 148.2
[M-H]- 176.13190 144.4
[M+NH4]+ 195.17300 159.8
[M+K]+ 216.10234 141.0
[M+H-H2O]+ 160.13644 136.5
[M+HCOO]- 222.13738 163.7
[M+CH3COO]- 236.15303 180.0
[M+Na-2H]- 198.11385 150.6
[M]+ 177.13863 140.2
[M]- 177.13973 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.