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

literature stripe

Patent stripe

patents stripe