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
3
Annotation Hits

6
References

151
Patents

170.08037 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 134.8
[M+Na]+ 193.069588 144.0
[M-H]- 169.073094 132.5
[M+NH4]+ 188.114193 149.8
[M+K]+ 209.043528 140.6
[M+H-H2O]+ 153.077630 127.5
[M+HCOO]- 215.078571 154.2
[M+CH3COO]- 229.094221 176.1
[M+Na-2H]- 191.055036 141.2
[M]+ 170.07982142 132.3
[M]- 170.08091858 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

literature stripe

Patent stripe

patents stripe