CID 94424

31857-31-5

Structural Information

Molecular Formula
C4H8N4
SMILES
CNC(=NC)NC#N
InChI
InChI=1S/C4H8N4/c1-6-4(7-2)8-3-5/h1-2H3,(H2,6,7,8)
InChIKey
KPUBXONXNWPZIN-UHFFFAOYSA-N
Compound name
1-cyano-2,3-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

76
Patents

112.0749 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 124.2
[M+Na]+ 135.06412 131.7
[M-H]- 111.06762 126.2
[M+NH4]+ 130.10872 144.3
[M+K]+ 151.03806 132.9
[M+H-H2O]+ 95.072160 111.9
[M+HCOO]- 157.07310 148.0
[M+CH3COO]- 171.08875 190.3
[M+Na-2H]- 133.04957 131.3
[M]+ 112.07435 117.6
[M]- 112.07545 117.6
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