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

6236
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

literature stripe

Patent stripe

patents stripe