CID 14288

4-methoxy-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C4H6N4O
SMILES
COC1=NC=NC(=N1)N
InChI
InChI=1S/C4H6N4O/c1-9-4-7-2-6-3(5)8-4/h2H,1H3,(H2,5,6,7,8)
InChIKey
NROXQTDIDGVYHK-UHFFFAOYSA-N
Compound name
4-methoxy-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

126.05416 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 122.7
[M+Na]+ 149.04338 132.4
[M-H]- 125.04688 122.4
[M+NH4]+ 144.08798 140.5
[M+K]+ 165.01732 131.2
[M+H-H2O]+ 109.05142 115.0
[M+HCOO]- 171.05236 145.5
[M+CH3COO]- 185.06801 171.8
[M+Na-2H]- 147.02883 132.2
[M]+ 126.05361 122.3
[M]- 126.05471 122.3
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