CID 146155453

2-benzyl-5-ethynyltetrazole

Structural Information

Molecular Formula
C10H8N4
SMILES
C#CC1=NN(N=N1)CC2=CC=CC=C2
InChI
InChI=1S/C10H8N4/c1-2-10-11-13-14(12-10)8-9-6-4-3-5-7-9/h1,3-7H,8H2
InChIKey
KDOVPRSMERYMHS-UHFFFAOYSA-N
Compound name
2-benzyl-5-ethynyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07489 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08217 141.9
[M+Na]+ 207.06411 155.7
[M+NH4]+ 202.10871 145.8
[M+K]+ 223.03805 147.4
[M-H]- 183.06761 135.4
[M+Na-2H]- 205.04956 147.2
[M]+ 184.07434 141.2
[M]- 184.07544 141.2
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.