CID 3031896

Tt-111

Structural Information

Molecular Formula
C13H19N5
SMILES
CCN(CC)C(C)C1=NN=NN1C2=CC=CC=C2
InChI
InChI=1S/C13H19N5/c1-4-17(5-2)11(3)13-14-15-16-18(13)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKey
ULOPXOSRDQXXFE-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-(1-phenyltetrazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.16405 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.17133 156.8
[M+Na]+ 268.15327 168.9
[M+NH4]+ 263.19787 163.5
[M+K]+ 284.12721 164.8
[M-H]- 244.15677 158.9
[M+Na-2H]- 266.13872 164.5
[M]+ 245.16350 158.9
[M]- 245.16460 158.9
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.