CID 13020224

5-(chloromethyl)-1-cyclohexyl-1h-tetrazole

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

25
Patents

200.08287 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09015 142.5
[M+Na]+ 223.07209 155.1
[M+NH4]+ 218.11669 150.5
[M+K]+ 239.04603 150.0
[M-H]- 199.07559 143.8
[M+Na-2H]- 221.05754 149.2
[M]+ 200.08232 144.7
[M]- 200.08342 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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