CID 3042801

60560-23-8

Structural Information

Molecular Formula
C13H17N5
SMILES
C1CCC(CC1)N=C(NC#N)NC2=CN=CC=C2
InChI
InChI=1S/C13H17N5/c14-10-16-13(17-11-5-2-1-3-6-11)18-12-7-4-8-15-9-12/h4,7-9,11H,1-3,5-6H2,(H2,16,17,18)
InChIKey
AMIPMYBJQDRKHK-UHFFFAOYSA-N
Compound name
1-cyano-2-cyclohexyl-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

243.14839 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15567 157.5
[M+Na]+ 266.13761 161.9
[M-H]- 242.14111 161.1
[M+NH4]+ 261.18221 170.5
[M+K]+ 282.11155 157.9
[M+H-H2O]+ 226.14565 141.6
[M+HCOO]- 288.14659 176.3
[M+CH3COO]- 302.16224 209.8
[M+Na-2H]- 264.12306 162.8
[M]+ 243.14784 145.9
[M]- 243.14894 145.9
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