CID 15356

1609-07-0

Structural Information

Molecular Formula
C3H6N4
SMILES
CN=C(N)NC#N
InChI
InChI=1S/C3H6N4/c1-6-3(5)7-2-4/h1H3,(H3,5,6,7)
InChIKey
SIQWQBQGWREFSE-UHFFFAOYSA-N
Compound name
1-cyano-2-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

538
Patents

98.05925 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.066526 120.4
[M+Na]+ 121.048468 128.2
[M-H]- 97.051974 122.1
[M+NH4]+ 116.093073 140.7
[M+K]+ 137.022408 129.3
[M+H-H2O]+ 81.056510 108.3
[M+HCOO]- 143.057451 143.9
[M+CH3COO]- 157.073101 187.6
[M+Na-2H]- 119.033916 127.0
[M]+ 98.05870142 112.6
[M]- 98.05979858 112.6
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