CID 121553616

1909325-69-4

Structural Information

Molecular Formula

C₆H₁₁N₅

SMILES

C1CC2=NN=NN2CCC1N

InChI

InChI=1S/C6H11N5/c7-5-1-2-6-8-9-10-11(6)4-3-5/h5H,1-4,7H2

InChIKey

BYKLNTQRIPXGGX-UHFFFAOYSA-N

Compound name

6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.10144 Da
Monoisotopic Mass: -1.1
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]+	154.10872	129.1
[M+Na]+	176.09066	137.6
[M+NH4]+	171.13526	135.8
[M+K]+	192.06460	136.2
[M-H]-	152.09416	128.8
[M+Na-2H]-	174.07611	133.6
[M]+	153.10089	129.9
[M]-	153.10199	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.