CID 3042791

Guanidine, 1-butyl-2-cyano-3-(3-pyridyl)-

Structural Information

Molecular Formula
C11H15N5
SMILES
CCCCN=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C11H15N5/c1-2-3-7-14-11(15-9-12)16-10-5-4-6-13-8-10/h4-6,8H,2-3,7H2,1H3,(H2,14,15,16)
InChIKey
YBNIJHZRKKIBOT-UHFFFAOYSA-N
Compound name
2-butyl-1-cyano-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

217.13275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.14003 151.3
[M+Na]+ 240.12197 157.4
[M-H]- 216.12547 153.3
[M+NH4]+ 235.16657 165.9
[M+K]+ 256.09591 155.3
[M+H-H2O]+ 200.13001 136.1
[M+HCOO]- 262.13095 173.2
[M+CH3COO]- 276.14660 207.4
[M+Na-2H]- 238.10742 157.7
[M]+ 217.13220 145.0
[M]- 217.13330 145.0
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

patents stripe