CID 3064124

Pan-w-35

Structural Information

Molecular Formula
C10H15N2
SMILES
CC(C)N=CC1=CC=[N+](C=C1)C
InChI
InChI=1S/C10H15N2/c1-9(2)11-8-10-4-6-12(3)7-5-10/h4-9H,1-3H3/q+1
InChIKey
YVYQAQOOUNUQOQ-UHFFFAOYSA-N
Compound name
1-(1-methylpyridin-1-ium-4-yl)-N-propan-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.12352 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.130796 135.7
[M+Na]+ 186.112738 143.3
[M-H]- 162.116244 139.8
[M+NH4]+ 181.157343 155.6
[M+K]+ 202.086678 136.5
[M+H-H2O]+ 146.120780 131.7
[M+HCOO]- 208.121721 160.2
[M+CH3COO]- 222.137371 178.1
[M+Na-2H]- 184.098186 144.6
[M]+ 163.12297142 135.4
[M]- 163.12406858 135.4
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.