CID 135510207

19988-24-0

Structural Information

Molecular Formula
C6H11N5O
SMILES
CC(C)NC1=NC(=O)NC(=N1)N
InChI
InChI=1S/C6H11N5O/c1-3(2)8-5-9-4(7)10-6(12)11-5/h3H,1-2H3,(H4,7,8,9,10,11,12)
InChIKey
GCKLGRUZDXSATG-UHFFFAOYSA-N
Compound name
6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

75
Patents

169.09636 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.10364 136.4
[M+Na]+ 192.08558 145.0
[M-H]- 168.08908 135.0
[M+NH4]+ 187.13018 151.6
[M+K]+ 208.05952 142.2
[M+H-H2O]+ 152.09362 128.6
[M+HCOO]- 214.09456 157.3
[M+CH3COO]- 228.11021 181.8
[M+Na-2H]- 190.07103 142.7
[M]+ 169.09581 133.3
[M]- 169.09691 133.3
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.