CID 199904

Brn 0611006

Structural Information

Molecular Formula
C9H16N4O
SMILES
CCC1=NC(=NC(=N1)OC)NC(C)C
InChI
InChI=1S/C9H16N4O/c1-5-7-11-8(10-6(2)3)13-9(12-7)14-4/h6H,5H2,1-4H3,(H,10,11,12,13)
InChIKey
JVUSTZBIQIXNKE-UHFFFAOYSA-N
Compound name
4-ethyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.13242 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13970 145.4
[M+Na]+ 219.12164 153.7
[M-H]- 195.12514 145.3
[M+NH4]+ 214.16624 161.0
[M+K]+ 235.09558 152.1
[M+H-H2O]+ 179.12968 137.1
[M+HCOO]- 241.13062 166.3
[M+CH3COO]- 255.14627 189.5
[M+Na-2H]- 217.10709 151.4
[M]+ 196.13187 147.7
[M]- 196.13297 147.7
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