CID 3042794

60560-05-6

Structural Information

Molecular Formula
C12H15N5
SMILES
CC1(CCC1)N=C(NC#N)NC2=CN=CC=C2
InChI
InChI=1S/C12H15N5/c1-12(5-3-6-12)17-11(15-9-13)16-10-4-2-7-14-8-10/h2,4,7-8H,3,5-6H2,1H3,(H2,15,16,17)
InChIKey
VQLLQAHFCUODFW-UHFFFAOYSA-N
Compound name
1-cyano-2-(1-methylcyclobutyl)-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

229.13275 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14003 155.2
[M+Na]+ 252.12197 159.9
[M-H]- 228.12547 159.6
[M+NH4]+ 247.16657 165.0
[M+K]+ 268.09591 161.3
[M+H-H2O]+ 212.13001 135.2
[M+HCOO]- 274.13095 174.9
[M+CH3COO]- 288.14660 210.3
[M+Na-2H]- 250.10742 161.2
[M]+ 229.13220 154.7
[M]- 229.13330 154.7
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