CID 81973

Tetramethylenetetrazole

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

C1CCN2C(=NN=N2)C1

InChI

InChI=1S/C5H8N4/c1-2-4-9-5(3-1)6-7-8-9/h1-4H2

InChIKey

BPXHBBLWZXBDPM-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 124.0749 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]+	125.08218	123.8
[M+Na]+	147.06412	132.3
[M-H]-	123.06762	122.4
[M+NH4]+	142.10872	143.1
[M+K]+	163.03806	130.9
[M+H-H2O]+	107.07216	115.1
[M+HCOO]-	169.07310	142.1
[M+CH3COO]-	183.08875	136.6
[M+Na-2H]-	145.04957	132.2
[M]+	124.07435	121.0
[M]-	124.07545	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe