CID 206250

1-cyclohexyl-5-ethyl-1h-tetrazole

Structural Information

Molecular Formula
C9H16N4
SMILES
CCC1=NN=NN1C2CCCCC2
InChI
InChI=1S/C9H16N4/c1-2-9-10-11-12-13(9)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKey
YEZHWPUHDLFLLW-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-ethyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

180.1375 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.144776 142.1
[M+Na]+ 203.126718 148.6
[M-H]- 179.130224 142.5
[M+NH4]+ 198.171323 158.0
[M+K]+ 219.100658 146.3
[M+H-H2O]+ 163.134760 132.1
[M+HCOO]- 225.135701 159.1
[M+CH3COO]- 239.151351 153.2
[M+Na-2H]- 201.112166 145.9
[M]+ 180.13695142 138.2
[M]- 180.13804858 138.2
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