CID 48865

Brn 0412792

Structural Information

Molecular Formula
C11H15N5O
SMILES
CCOCCN=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C11H15N5O/c1-2-17-7-6-14-11(15-9-12)16-10-4-3-5-13-8-10/h3-5,8H,2,6-7H2,1H3,(H2,14,15,16)
InChIKey
VEDZWQOIUMRKAJ-UHFFFAOYSA-N
Compound name
1-cyano-2-(2-ethoxyethyl)-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

233.12766 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.134936 153.0
[M+Na]+ 256.116878 159.0
[M-H]- 232.120384 154.9
[M+NH4]+ 251.161483 167.0
[M+K]+ 272.090818 157.5
[M+H-H2O]+ 216.124920 137.6
[M+HCOO]- 278.125861 175.1
[M+CH3COO]- 292.141511 209.2
[M+Na-2H]- 254.102326 159.5
[M]+ 233.12711142 148.0
[M]- 233.12820858 148.0
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.