CID 12667601

N-cyanopyridine-3-amidine

Structural Information

Molecular Formula
C7H6N4
SMILES
C1=CC(=CN=C1)C(=NC#N)N
InChI
InChI=1S/C7H6N4/c8-5-11-7(9)6-2-1-3-10-4-6/h1-4H,(H2,9,11)
InChIKey
AKRJDDPVSSPCSI-UHFFFAOYSA-N
Compound name
N'-cyanopyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

146.05925 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.066526 131.9
[M+Na]+ 169.048468 140.4
[M-H]- 145.051974 134.1
[M+NH4]+ 164.093073 149.1
[M+K]+ 185.022408 138.6
[M+H-H2O]+ 129.056510 117.9
[M+HCOO]- 191.057451 153.6
[M+CH3COO]- 205.073101 192.5
[M+Na-2H]- 167.033916 139.0
[M]+ 146.05870142 124.3
[M]- 146.05979858 124.3
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