CID 3062060

2,6-bis(guanidinomethyl)pyridine

Structural Information

Molecular Formula
C9H15N7
SMILES
C1=CC(=NC(=C1)CN=C(N)N)CN=C(N)N
InChI
InChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)
InChIKey
AJZJXPNIFWAHHT-UHFFFAOYSA-N
Compound name
2-[[6-[(diaminomethylideneamino)methyl]pyridin-2-yl]methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

221.1389 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14618 147.7
[M+Na]+ 244.12812 152.1
[M-H]- 220.13162 151.1
[M+NH4]+ 239.17272 163.0
[M+K]+ 260.10206 150.7
[M+H-H2O]+ 204.13616 138.5
[M+HCOO]- 266.13710 175.9
[M+CH3COO]- 280.15275 207.5
[M+Na-2H]- 242.11357 151.9
[M]+ 221.13835 141.1
[M]- 221.13945 141.1
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

No patent data available for this compound.