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 147.2
[M+Na]+ 243.12164 152.3
[M-H]- 219.12514 152.6
[M+NH4]+ 238.16624 165.1
[M+K]+ 259.09558 145.8
[M+H-H2O]+ 203.12968 143.9
[M+HCOO]- 265.13062 178.4
[M+CH3COO]- 279.14627 194.9
[M+Na-2H]- 241.10709 156.5
[M]+ 220.13187 145.9
[M]- 220.13297 145.9
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.