CID 10773287

4-(2-azidoethyl)aniline hydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₄

SMILES

C1=CC(=CC=C1CCN=[N+]=[N-])N

InChI

InChI=1S/C8H10N4/c9-8-3-1-7(2-4-8)5-6-11-12-10/h1-4H,5-6,9H2

InChIKey

XLZFSDDFPPNJLS-UHFFFAOYSA-N

Compound name

4-(2-azidoethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.09055 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.097826	130.1
[M+Na]+	185.079768	136.6
[M-H]-	161.083274	136.0
[M+NH4]+	180.124373	150.4
[M+K]+	201.053708	130.4
[M+H-H2O]+	145.087810	127.7
[M+HCOO]-	207.088751	162.1
[M+CH3COO]-	221.104401	183.6
[M+Na-2H]-	183.065216	140.8
[M]+	162.09000142	126.4
[M]-	162.09109858	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe