CID 60647492

1247848-33-4

Structural Information

Molecular Formula
C10H9N5
SMILES
C#CCNC1=NN=NN1C2=CC=CC=C2
InChI
InChI=1S/C10H9N5/c1-2-8-11-10-12-13-14-15(10)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,11,12,14)
InChIKey
HOIYZFFSFRFCCK-UHFFFAOYSA-N
Compound name
1-phenyl-N-prop-2-ynyltetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0858 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.093076 140.0
[M+Na]+ 222.075018 149.6
[M-H]- 198.078524 138.1
[M+NH4]+ 217.119623 152.3
[M+K]+ 238.048958 144.7
[M+H-H2O]+ 182.083060 122.9
[M+HCOO]- 244.084001 155.5
[M+CH3COO]- 258.099651 149.7
[M+Na-2H]- 220.060466 145.5
[M]+ 199.08525142 133.3
[M]- 199.08634858 133.3
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

No patent data available for this compound.