CID 135524780

N-cyclopropylammeline

Structural Information

Molecular Formula
C6H9N5O
SMILES
C1CC1NC2=NC(=O)NC(=N2)N
InChI
InChI=1S/C6H9N5O/c7-4-9-5(8-3-1-2-3)11-6(12)10-4/h3H,1-2H2,(H4,7,8,9,10,11,12)
InChIKey
YWSPFJMRXWALBW-UHFFFAOYSA-N
Compound name
6-amino-4-(cyclopropylamino)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

167.0807 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08798 140.6
[M+Na]+ 190.06992 151.4
[M-H]- 166.07342 143.1
[M+NH4]+ 185.11452 151.2
[M+K]+ 206.04386 145.7
[M+H-H2O]+ 150.07796 132.4
[M+HCOO]- 212.07890 163.2
[M+CH3COO]- 226.09455 182.8
[M+Na-2H]- 188.05537 147.9
[M]+ 167.08015 139.3
[M]- 167.08125 139.3
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.