CID 58415389

950691-49-3

Structural Information

Molecular Formula

C₄H₇N₅

SMILES

C1C(CN1)C2=NNN=N2

InChI

InChI=1S/C4H7N5/c1-3(2-5-1)4-6-8-9-7-4/h3,5H,1-2H2,(H,6,7,8,9)

InChIKey

XTUWELXPIPDXIN-UHFFFAOYSA-N

Compound name

5-(azetidin-3-yl)-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 125.070145 Da
Monoisotopic Mass: -1.1
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]+	126.07742	123.8
[M+Na]+	148.05936	130.9
[M-H]-	124.06287	121.1
[M+NH4]+	143.10397	133.0
[M+K]+	164.03330	131.1
[M+H-H2O]+	108.06740	109.9
[M+HCOO]-	170.06835	139.4
[M+CH3COO]-	184.08400	134.8
[M+Na-2H]-	146.04481	130.2
[M]+	125.06960	127.3
[M]-	125.07069	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe