CID 89613

1,3,5-triazine-2,4-diamine, 6-(4-pentenyl)-

Structural Information

Molecular Formula

C₈H₁₃N₅

SMILES

C=CCCCC1=NC(=NC(=N1)N)N

InChI

InChI=1S/C8H13N5/c1-2-3-4-5-6-11-7(9)13-8(10)12-6/h2H,1,3-5H2,(H4,9,10,11,12,13)

InChIKey

DNROWNDXCCMFHU-UHFFFAOYSA-N

Compound name

6-pent-4-enyl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 179.1171 Da
Monoisotopic Mass: 1.0
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]+	180.12438	141.2
[M+Na]+	202.10632	149.7
[M-H]-	178.10982	140.2
[M+NH4]+	197.15092	156.6
[M+K]+	218.08026	146.0
[M+H-H2O]+	162.11436	132.9
[M+HCOO]-	224.11530	163.1
[M+CH3COO]-	238.13095	186.5
[M+Na-2H]-	200.09177	147.2
[M]+	179.11655	138.9
[M]-	179.11765	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe