CID 17802

2827-44-3

Structural Information

Molecular Formula
C5H9N5O
SMILES
CCOC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)
InChIKey
BVZPBJHXLZKTKX-UHFFFAOYSA-N
Compound name
6-ethoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

335
Patents

155.0807 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.087976 131.6
[M+Na]+ 178.069918 141.1
[M-H]- 154.073424 131.1
[M+NH4]+ 173.114523 148.0
[M+K]+ 194.043858 139.1
[M+H-H2O]+ 138.077960 123.6
[M+HCOO]- 200.078901 154.6
[M+CH3COO]- 214.094551 180.4
[M+Na-2H]- 176.055366 139.2
[M]+ 155.08015142 130.3
[M]- 155.08124858 130.3
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