CID 22416565

89795-81-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

146.05925 Da
Monoisotopic Mass

0.5
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

literature stripe

Patent stripe

patents stripe