CID 3454673

30099-83-3

Structural Information

Molecular Formula
C7H11N5O
SMILES
CC(C)C(=O)C1=NC(=NC(=N1)N)N
InChI
InChI=1S/C7H11N5O/c1-3(2)4(13)5-10-6(8)12-7(9)11-5/h3H,1-2H3,(H4,8,9,10,11,12)
InChIKey
XRCIUQOTZXTOMJ-UHFFFAOYSA-N
Compound name
1-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

181.09636 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.10364 140.4
[M+Na]+ 204.08558 148.8
[M-H]- 180.08908 139.9
[M+NH4]+ 199.13018 155.5
[M+K]+ 220.05952 146.8
[M+H-H2O]+ 164.09362 132.4
[M+HCOO]- 226.09456 161.0
[M+CH3COO]- 240.11021 187.5
[M+Na-2H]- 202.07103 144.5
[M]+ 181.09581 137.9
[M]- 181.09691 137.9
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

patents stripe