CID 11218739

73963-42-5

Structural Information

Molecular Formula

C₁₁H₁₉ClN₄

SMILES

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

InChI

InChI=1S/C11H19ClN4/c12-9-5-4-8-11-13-14-15-16(11)10-6-2-1-3-7-10/h10H,1-9H2

InChIKey

INTQSGGUSUSCTJ-UHFFFAOYSA-N

Compound name

5-(4-chlorobutyl)-1-cyclohexyltetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 242.12982 Da
Monoisotopic Mass: 2.9
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]+	243.13710	156.8
[M+Na]+	265.11904	163.0
[M-H]-	241.12254	156.4
[M+NH4]+	260.16364	170.9
[M+K]+	281.09298	158.6
[M+H-H2O]+	225.12708	146.2
[M+HCOO]-	287.12802	168.3
[M+CH3COO]-	301.14367	166.5
[M+Na-2H]-	263.10449	159.0
[M]+	242.12927	155.2
[M]-	242.13037	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe