CID 61149611

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

Structural Information

Molecular Formula

C₅H₁₁N₅

SMILES

CCCC(C1=NNN=N1)N

InChI

InChI=1S/C5H11N5/c1-2-3-4(6)5-7-9-10-8-5/h4H,2-3,6H2,1H3,(H,7,8,9,10)

InChIKey

JNMFCCCHDAEJNL-UHFFFAOYSA-N

Compound name

1-(2H-tetrazol-5-yl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 141.10144 Da
Monoisotopic Mass: -0.3
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]+	142.10872	129.0
[M+Na]+	164.09066	138.2
[M+NH4]+	159.13526	135.0
[M+K]+	180.06460	136.3
[M-H]-	140.09416	127.4
[M+Na-2H]-	162.07611	133.4
[M]+	141.10089	129.3
[M]-	141.10199	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe