CID 100270

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

Structural Information

Molecular Formula
C9H10N4
SMILES
CCN1C(=NN=N1)C2=CC=CC=C2
InChI
InChI=1S/C9H10N4/c1-2-13-9(10-11-12-13)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
XBDIFKZMUYFXBN-UHFFFAOYSA-N
Compound name
1-ethyl-5-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

244
Patents

174.09055 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.097826 136.3
[M+Na]+ 197.079768 146.1
[M-H]- 173.083274 137.9
[M+NH4]+ 192.124373 152.8
[M+K]+ 213.053708 142.9
[M+H-H2O]+ 157.087810 126.7
[M+HCOO]- 219.088751 157.7
[M+CH3COO]- 233.104401 149.3
[M+Na-2H]- 195.065216 143.5
[M]+ 174.09000142 136.8
[M]- 174.09109858 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