CID 194013

273400-20-7

Structural Information

Molecular Formula

C₄H₉N₅

SMILES

C(CC1=NNN=N1)CN

InChI

InChI=1S/C4H9N5/c5-3-1-2-4-6-8-9-7-4/h1-3,5H2,(H,6,7,8,9)

InChIKey

GKWCKCHEKRDLOB-UHFFFAOYSA-N

Compound name

3-(2H-tetrazol-5-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 92
Patents: 127.08579 Da
Monoisotopic Mass: -0.8
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]+	128.093066	125.2
[M+Na]+	150.075008	133.5
[M-H]-	126.078514	121.7
[M+NH4]+	145.119613	142.4
[M+K]+	166.048948	131.4
[M+H-H2O]+	110.083050	116.7
[M+HCOO]-	172.083991	145.7
[M+CH3COO]-	186.099641	169.2
[M+Na-2H]-	148.060456	132.4
[M]+	127.08524142	122.4
[M]-	127.08633858	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe