CID 218734

Guanidine, 1-butyl-3-cyano-

Structural Information

Molecular Formula
C6H12N4
SMILES
CCCCN=C(N)NC#N
InChI
InChI=1S/C6H12N4/c1-2-3-4-9-6(8)10-5-7/h2-4H2,1H3,(H3,8,9,10)
InChIKey
MHDCDPXQCUJWCH-UHFFFAOYSA-N
Compound name
2-butyl-1-cyanoguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

140.1062 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.113476 132.0
[M+Na]+ 163.095418 138.7
[M-H]- 139.098924 133.2
[M+NH4]+ 158.140023 150.8
[M+K]+ 179.069358 139.1
[M+H-H2O]+ 123.103460 119.4
[M+HCOO]- 185.104401 154.7
[M+CH3COO]- 199.120051 195.8
[M+Na-2H]- 161.080866 137.3
[M]+ 140.10565142 125.2
[M]- 140.10674858 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe