CID 351600

N''-cyano-n-ethylguanidine

Structural Information

Molecular Formula
C4H8N4
SMILES
CCN=C(N)NC#N
InChI
InChI=1S/C4H8N4/c1-2-7-4(6)8-3-5/h2H2,1H3,(H3,6,7,8)
InChIKey
IKKZUUMAGYBBFE-UHFFFAOYSA-N
Compound name
1-cyano-2-ethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

112.0749 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 124.3
[M+Na]+ 135.06412 131.7
[M-H]- 111.06762 125.8
[M+NH4]+ 130.10872 144.1
[M+K]+ 151.03806 132.6
[M+H-H2O]+ 95.072160 112.0
[M+HCOO]- 157.07310 147.5
[M+CH3COO]- 171.08875 190.3
[M+Na-2H]- 133.04957 130.5
[M]+ 112.07435 116.8
[M]- 112.07545 116.8
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