CID 13020224

73963-32-3

Structural Information

Molecular Formula

C₈H₁₃ClN₄

SMILES

C1CCC(CC1)N2C(=NN=N2)CCl

InChI

InChI=1S/C8H13ClN4/c9-6-8-10-11-12-13(8)7-4-2-1-3-5-7/h7H,1-6H2

InChIKey

NZFAKRBFJHGTDE-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-1-cyclohexyltetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 200.08287 Da
Monoisotopic Mass: 1.7
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]+	201.09015	143.6
[M+Na]+	223.07209	151.1
[M-H]-	199.07559	143.8
[M+NH4]+	218.11669	159.4
[M+K]+	239.04603	147.4
[M+H-H2O]+	183.08013	133.6
[M+HCOO]-	245.08107	156.1
[M+CH3COO]-	259.09672	154.6
[M+Na-2H]-	221.05754	147.4
[M]+	200.08232	141.0
[M]-	200.08342	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe