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: 19
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]+	128.093066	127.4
[M+Na]+	150.075008	136.1
[M-H]-	126.078514	124.3
[M+NH4]+	145.119613	144.7
[M+K]+	166.048948	134.3
[M+H-H2O]+	110.083050	119.7
[M+HCOO]-	172.083991	146.2
[M+CH3COO]-	186.099641	169.5
[M+Na-2H]-	148.060456	135.0
[M]+	127.08524142	124.0
[M]-	127.08633858	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe