CID 206251

1h-tetrazole, 5-ethyl-1-phenyl-

Structural Information

Molecular Formula
C9H10N4
SMILES
CCC1=NN=NN1C2=CC=CC=C2
InChI
InChI=1S/C9H10N4/c1-2-9-10-11-12-13(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
WVYXSUZGELRXRA-UHFFFAOYSA-N
Compound name
5-ethyl-1-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

174.09055 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 136.3
[M+Na]+ 197.07977 146.1
[M-H]- 173.08327 137.9
[M+NH4]+ 192.12437 152.8
[M+K]+ 213.05371 142.9
[M+H-H2O]+ 157.08781 126.7
[M+HCOO]- 219.08875 157.7
[M+CH3COO]- 233.10440 149.3
[M+Na-2H]- 195.06522 143.5
[M]+ 174.09000 136.8
[M]- 174.09110 136.8
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