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

105
Patents

140.1062 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.11348 136.5
[M+Na]+ 163.09542 143.7
[M+NH4]+ 158.14002 140.2
[M+K]+ 179.06936 135.7
[M-H]- 139.09892 130.2
[M+Na-2H]- 161.08087 137.4
[M]+ 140.10565 134.4
[M]- 140.10675 134.4
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