CID 206247

5-cyclohexyl-1-methyl-1h-tetrazole

Structural Information

Molecular Formula
C8H14N4
SMILES
CN1C(=NN=N1)C2CCCCC2
InChI
InChI=1S/C8H14N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey
NHOCIKGCQZOHNI-UHFFFAOYSA-N
Compound name
5-cyclohexyl-1-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

166.12184 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.129116 137.7
[M+Na]+ 189.111058 144.7
[M-H]- 165.114564 138.3
[M+NH4]+ 184.155663 154.2
[M+K]+ 205.084998 142.6
[M+H-H2O]+ 149.119100 127.9
[M+HCOO]- 211.120041 155.0
[M+CH3COO]- 225.135691 149.2
[M+Na-2H]- 187.096506 142.1
[M]+ 166.12129142 133.5
[M]- 166.12238858 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe