CID 8859

Guanylurea

Structural Information

Molecular Formula
C2H6N4O
SMILES
C(=NC(=O)N)(N)N
InChI
InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
InChIKey
SQSPRWMERUQXNE-UHFFFAOYSA-N
Compound name
diaminomethylideneurea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

43
References

6978
Patents

102.05416 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.06144 117.8
[M+Na]+ 125.04338 123.9
[M-H]- 101.04688 118.6
[M+NH4]+ 120.08798 139.3
[M+K]+ 141.01732 124.7
[M+H-H2O]+ 85.051420 111.8
[M+HCOO]- 147.05236 145.0
[M+CH3COO]- 161.06801 176.2
[M+Na-2H]- 123.02883 122.3
[M]+ 102.05361 111.6
[M]- 102.05471 111.6
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

No patent data available for this compound.