CID 202194

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

Structural Information

Molecular Formula
C8H14N4
SMILES
CC1=NN=NN1C2CCCCC2
InChI
InChI=1S/C8H14N4/c1-7-9-10-11-12(7)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKey
LXSAPEUXYKTICH-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

166.12184 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 137.7
[M+Na]+ 189.11106 144.7
[M-H]- 165.11456 138.3
[M+NH4]+ 184.15566 154.2
[M+K]+ 205.08500 142.6
[M+H-H2O]+ 149.11910 127.9
[M+HCOO]- 211.12004 155.0
[M+CH3COO]- 225.13569 149.2
[M+Na-2H]- 187.09651 142.1
[M]+ 166.12129 133.5
[M]- 166.12239 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

literature stripe

Patent stripe

patents stripe