CID 165981140

3-[(5-azidopentyl)oxy]aniline hydrochloride

Structural Information

Molecular Formula
C11H16N4O
SMILES
C1=CC(=CC(=C1)OCCCCCN=[N+]=[N-])N
InChI
InChI=1S/C11H16N4O/c12-10-5-4-6-11(9-10)16-8-3-1-2-7-14-15-13/h4-6,9H,1-3,7-8,12H2
InChIKey
JIXPKFTVPDMQOR-UHFFFAOYSA-N
Compound name
3-(5-azidopentoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.13242 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13970 148.7
[M+Na]+ 243.12164 160.1
[M+NH4]+ 238.16624 156.9
[M+K]+ 259.09558 154.5
[M-H]- 219.12514 154.6
[M+Na-2H]- 241.10709 156.0
[M]+ 220.13187 151.7
[M]- 220.13297 151.7
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.