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 157.8
[M+Na]+ 268.15327 164.8
[M-H]- 244.15677 160.6
[M+NH4]+ 263.19787 171.7
[M+K]+ 284.12721 162.4
[M+H-H2O]+ 228.16131 147.1
[M+HCOO]- 290.16225 178.5
[M+CH3COO]- 304.17790 200.2
[M+Na-2H]- 266.13872 161.8
[M]+ 245.16350 159.8
[M]- 245.16460 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.