CID 199945

1,3,5-triazine-2-acetonitrile, 4-amino-6-ethoxy-

Structural Information

Molecular Formula
C7H9N5O
SMILES
CCOC1=NC(=NC(=N1)N)CC#N
InChI
InChI=1S/C7H9N5O/c1-2-13-7-11-5(3-4-8)10-6(9)12-7/h2-3H2,1H3,(H2,9,10,11,12)
InChIKey
ATEUVAKUODRAMZ-UHFFFAOYSA-N
Compound name
2-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.0807 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.087976 133.5
[M+Na]+ 202.069918 143.2
[M-H]- 178.073424 132.0
[M+NH4]+ 197.114523 147.1
[M+K]+ 218.043858 141.8
[M+H-H2O]+ 162.077960 118.3
[M+HCOO]- 224.078901 151.3
[M+CH3COO]- 238.094551 195.3
[M+Na-2H]- 200.055366 140.1
[M]+ 179.08015142 128.9
[M]- 179.08124858 128.9
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

No patent data available for this compound.