CID 54595578

2-(1h-1,2,3,4-tetrazol-5-yl)propan-2-amine

Structural Information

Molecular Formula

C₄H₉N₅

SMILES

CC(C)(C1=NNN=N1)N

InChI

InChI=1S/C4H9N5/c1-4(2,5)3-6-8-9-7-3/h5H2,1-2H3,(H,6,7,8,9)

InChIKey

LGOYTARNYBSMGN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 127.08579 Da
Monoisotopic Mass: -1.0
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]+	128.09307	124.3
[M+Na]+	150.07501	133.8
[M+NH4]+	145.11961	130.4
[M+K]+	166.04895	132.6
[M-H]-	126.07851	122.4
[M+Na-2H]-	148.06046	129.2
[M]+	127.08524	124.7
[M]-	127.08634	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe