CID 199945

Brn 0520931

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]+ 180.08798 133.5
[M+Na]+ 202.06992 143.2
[M-H]- 178.07342 132.0
[M+NH4]+ 197.11452 147.1
[M+K]+ 218.04386 141.8
[M+H-H2O]+ 162.07796 118.3
[M+HCOO]- 224.07890 151.3
[M+CH3COO]- 238.09455 195.3
[M+Na-2H]- 200.05537 140.1
[M]+ 179.08015 128.9
[M]- 179.08125 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.