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

2
Patents

192.11235 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.119626 136.3
[M+Na]+ 215.101568 142.1
[M-H]- 191.105074 136.6
[M+NH4]+ 210.146173 135.1
[M+K]+ 231.075508 145.0
[M+H-H2O]+ 175.109610 116.3
[M+HCOO]- 237.110551 148.8
[M+CH3COO]- 251.126201 195.6
[M+Na-2H]- 213.087016 142.8
[M]+ 192.11180142 149.5
[M]- 192.11289858 149.5
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

patents stripe