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]+ 185.082166 135.7
[M+Na]+ 207.064108 146.4
[M-H]- 183.067614 134.0
[M+NH4]+ 202.108713 149.0
[M+K]+ 223.038048 141.4
[M+H-H2O]+ 167.072150 119.0
[M+HCOO]- 229.073091 150.4
[M+CH3COO]- 243.088741 146.1
[M+Na-2H]- 205.049556 140.9
[M]+ 184.07434142 129.7
[M]- 184.07543858 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.