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

8
Patents

245.16405 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.171326 157.8
[M+Na]+ 268.153268 164.8
[M-H]- 244.156774 160.6
[M+NH4]+ 263.197873 171.7
[M+K]+ 284.127208 162.4
[M+H-H2O]+ 228.161310 147.1
[M+HCOO]- 290.162251 178.5
[M+CH3COO]- 304.177901 200.2
[M+Na-2H]- 266.138716 161.8
[M]+ 245.16350142 159.8
[M]- 245.16459858 159.8
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.