CID 19938450

31603-07-3

Structural Information

Molecular Formula

C₆H₁₃N₅

SMILES

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

InChI

InChI=1S/C6H13N5/c1-4(2)3-5(7)6-8-10-11-9-6/h4-5H,3,7H2,1-2H3,(H,8,9,10,11)

InChIKey

AGSAKIVVCZROSV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 155.1171 Da
Monoisotopic Mass: 0.1
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]+	156.12438	133.5
[M+Na]+	178.10632	142.2
[M+NH4]+	173.15092	139.2
[M+K]+	194.08026	140.8
[M-H]-	154.10982	131.6
[M+Na-2H]-	176.09177	137.2
[M]+	155.11655	133.7
[M]-	155.11765	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe