CID 2825325

Ns00016499

Structural Information

Molecular Formula
C13H15N5
SMILES
C1CCN(C1)C=CC2=NN=NN2C3=CC=CC=C3
InChI
InChI=1S/C13H15N5/c1-2-6-12(7-3-1)18-13(14-15-16-18)8-11-17-9-4-5-10-17/h1-3,6-8,11H,4-5,9-10H2
InChIKey
LBWSGNVMRJXSLA-UHFFFAOYSA-N
Compound name
1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

241.13275 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.140026 155.3
[M+Na]+ 264.121968 162.7
[M-H]- 240.125474 158.3
[M+NH4]+ 259.166573 168.8
[M+K]+ 280.095908 158.2
[M+H-H2O]+ 224.130010 143.6
[M+HCOO]- 286.130951 173.5
[M+CH3COO]- 300.146601 165.9
[M+Na-2H]- 262.107416 157.2
[M]+ 241.13220142 152.4
[M]- 241.13329858 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.