CID 441083

N-isopropylammelide

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CC(C)NC1=NC(=O)NC(=O)N1
InChI
InChI=1S/C6H10N4O2/c1-3(2)7-4-8-5(11)10-6(12)9-4/h3H,1-2H3,(H3,7,8,9,10,11,12)
InChIKey
DBFMBHXVWIURSV-UHFFFAOYSA-N
Compound name
6-(propan-2-ylamino)-1H-1,3,5-triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

147
Patents

170.08037 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08765 134.8
[M+Na]+ 193.06959 144.0
[M-H]- 169.07309 132.5
[M+NH4]+ 188.11419 149.8
[M+K]+ 209.04353 140.6
[M+H-H2O]+ 153.07763 127.5
[M+HCOO]- 215.07857 154.2
[M+CH3COO]- 229.09422 176.1
[M+Na-2H]- 191.05504 141.2
[M]+ 170.07982 132.3
[M]- 170.08092 132.3
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.