CID 459154

2-allylamino-4-amino-6-methoxy-s-triazine

Structural Information

Molecular Formula
C7H11N5O
SMILES
COC1=NC(=NC(=N1)NCC=C)N
InChI
InChI=1S/C7H11N5O/c1-3-4-9-6-10-5(8)11-7(12-6)13-2/h3H,1,4H2,2H3,(H3,8,9,10,11,12)
InChIKey
UKNGCCLHUUBOCR-UHFFFAOYSA-N
Compound name
6-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09636 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.103636 139.1
[M+Na]+ 204.085578 148.0
[M-H]- 180.089084 138.8
[M+NH4]+ 199.130183 154.6
[M+K]+ 220.059518 145.3
[M+H-H2O]+ 164.093620 130.7
[M+HCOO]- 226.094561 162.3
[M+CH3COO]- 240.110211 186.2
[M+Na-2H]- 202.071026 146.8
[M]+ 181.09581142 138.9
[M]- 181.09690858 138.9
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

No patent data available for this compound.