CID 48871

67026-50-0

Structural Information

Molecular Formula
C12H15N5
SMILES
CC(C1CC1)N=C(NC#N)NC2=CC=NC=C2
InChI
InChI=1S/C12H15N5/c1-9(10-2-3-10)16-12(15-8-13)17-11-4-6-14-7-5-11/h4-7,9-10H,2-3H2,1H3,(H2,14,15,16,17)
InChIKey
YVEOIBPXMPCJNQ-UHFFFAOYSA-N
Compound name
1-cyano-2-(1-cyclopropylethyl)-3-pyridin-4-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

229.13275 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14003 151.7
[M+Na]+ 252.12197 163.3
[M-H]- 228.12547 158.8
[M+NH4]+ 247.16657 163.3
[M+K]+ 268.09591 157.1
[M+H-H2O]+ 212.13001 139.4
[M+HCOO]- 274.13095 174.9
[M+CH3COO]- 288.14660 211.4
[M+Na-2H]- 250.10742 158.7
[M]+ 229.13220 148.3
[M]- 229.13330 148.3
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

No patent data available for this compound.