CID 35117

S-triazine, 4,6-diamino-2-pentoxy-

Structural Information

Molecular Formula

C₈H₁₅N₅O

SMILES

CCCCCOC1=NC(=NC(=N1)N)N

InChI

InChI=1S/C8H15N5O/c1-2-3-4-5-14-8-12-6(9)11-7(10)13-8/h2-5H2,1H3,(H4,9,10,11,12,13)

InChIKey

OGYDZAGBMZQEBM-UHFFFAOYSA-N

Compound name

6-pentoxy-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.12766 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.134936	144.8
[M+Na]+	220.116878	152.9
[M-H]-	196.120384	143.7
[M+NH4]+	215.161483	159.4
[M+K]+	236.090818	150.2
[M+H-H2O]+	180.124920	136.1
[M+HCOO]-	242.125861	166.7
[M+CH3COO]-	256.141511	189.5
[M+Na-2H]-	218.102326	150.8
[M]+	197.12711142	144.6
[M]-	197.12820858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe