CID 146155453

2416237-15-3

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 135.7
[M+Na]+ 207.06411 146.4
[M-H]- 183.06761 134.0
[M+NH4]+ 202.10871 149.0
[M+K]+ 223.03805 141.4
[M+H-H2O]+ 167.07215 119.0
[M+HCOO]- 229.07309 150.4
[M+CH3COO]- 243.08874 146.1
[M+Na-2H]- 205.04956 140.9
[M]+ 184.07434 129.7
[M]- 184.07544 129.7
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.