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]+ 200.09308 140.0
[M+Na]+ 222.07502 149.6
[M-H]- 198.07852 138.1
[M+NH4]+ 217.11962 152.3
[M+K]+ 238.04896 144.7
[M+H-H2O]+ 182.08306 122.9
[M+HCOO]- 244.08400 155.5
[M+CH3COO]- 258.09965 149.7
[M+Na-2H]- 220.06047 145.5
[M]+ 199.08525 133.3
[M]- 199.08635 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.