CID 3050750

Guanidine, 2-cyano-1-methyl-3-(3-pyridyl)-

Structural Information

Molecular Formula
C8H9N5
SMILES
CN=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C8H9N5/c1-10-8(12-6-9)13-7-3-2-4-11-5-7/h2-5H,1H3,(H2,10,12,13)
InChIKey
XQVLSVGTENBRFH-UHFFFAOYSA-N
Compound name
1-cyano-2-methyl-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

175.0858 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 139.9
[M+Na]+ 198.07502 147.2
[M-H]- 174.07852 142.3
[M+NH4]+ 193.11962 156.0
[M+K]+ 214.04896 145.7
[M+H-H2O]+ 158.08306 125.2
[M+HCOO]- 220.08400 162.7
[M+CH3COO]- 234.09965 199.2
[M+Na-2H]- 196.06047 147.6
[M]+ 175.08525 132.7
[M]- 175.08635 132.7
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