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

104
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

literature stripe

Patent stripe

patents stripe