CID 43351

60560-22-7

Structural Information

Molecular Formula
C12H15N5
SMILES
C1CCC(C1)N=C(NC#N)NC2=CN=CC=C2
InChI
InChI=1S/C12H15N5/c13-9-15-12(16-10-4-1-2-5-10)17-11-6-3-7-14-8-11/h3,6-8,10H,1-2,4-5H2,(H2,15,16,17)
InChIKey
UVQIHZIOZJMHRT-UHFFFAOYSA-N
Compound name
1-cyano-2-cyclopentyl-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

229.13275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14003 154.3
[M+Na]+ 252.12197 159.8
[M-H]- 228.12547 158.3
[M+NH4]+ 247.16657 169.5
[M+K]+ 268.09591 156.0
[M+H-H2O]+ 212.13001 138.2
[M+HCOO]- 274.13095 175.2
[M+CH3COO]- 288.14660 206.7
[M+Na-2H]- 250.10742 158.6
[M]+ 229.13220 144.2
[M]- 229.13330 144.2
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