CID 54248176

40320-08-9

Structural Information

Molecular Formula
C7H9N3
SMILES
CN=CNC1=CN=CC=C1
InChI
InChI=1S/C7H9N3/c1-8-6-10-7-3-2-4-9-5-7/h2-6H,1H3,(H,8,10)
InChIKey
QUUUGIJDKNUIPO-UHFFFAOYSA-N
Compound name
N'-methyl-N-pyridin-3-ylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

135.07965 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.086926 125.3
[M+Na]+ 158.068868 132.6
[M-H]- 134.072374 129.0
[M+NH4]+ 153.113473 145.8
[M+K]+ 174.042808 131.3
[M+H-H2O]+ 118.076910 118.1
[M+HCOO]- 180.077851 153.0
[M+CH3COO]- 194.093501 178.7
[M+Na-2H]- 156.054316 135.9
[M]+ 135.07910142 124.6
[M]- 135.08019858 124.6
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