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]+ 182.10364 139.1
[M+Na]+ 204.08558 148.0
[M-H]- 180.08908 138.8
[M+NH4]+ 199.13018 154.6
[M+K]+ 220.05952 145.3
[M+H-H2O]+ 164.09362 130.7
[M+HCOO]- 226.09456 162.3
[M+CH3COO]- 240.11021 186.2
[M+Na-2H]- 202.07103 146.8
[M]+ 181.09581 138.9
[M]- 181.09691 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.