CID 362170

Nsc625748

Structural Information

Molecular Formula

C₈H₁₂N₆

SMILES

C1CN(C1)C2=NN=C(N=N2)N3CCC3

InChI

InChI=1S/C8H12N6/c1-3-13(4-1)7-9-11-8(12-10-7)14-5-2-6-14/h1-6H2

InChIKey

UNJZINWIGXRJHA-UHFFFAOYSA-N

Compound name

3,6-bis(azetidin-1-yl)-1,2,4,5-tetrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 192.11235 Da
Monoisotopic Mass: -0.2
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]+	193.11963	136.3
[M+Na]+	215.10157	142.1
[M-H]-	191.10507	136.6
[M+NH4]+	210.14617	135.1
[M+K]+	231.07551	145.0
[M+H-H2O]+	175.10961	116.3
[M+HCOO]-	237.11055	148.8
[M+CH3COO]-	251.12620	195.6
[M+Na-2H]-	213.08702	142.8
[M]+	192.11180	149.5
[M]-	192.11290	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe