CID 13581612

3-(4-azidophenyl)propionic acid

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1=CC(=CC=C1CCC(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C9H9N3O2/c10-12-11-8-4-1-7(2-5-8)3-6-9(13)14/h1-2,4-5H,3,6H2,(H,13,14)
InChIKey
RZYXFEOBOVVBLL-UHFFFAOYSA-N
Compound name
3-(4-azidophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

93
Patents

191.06947 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 137.8
[M+Na]+ 214.058688 144.2
[M-H]- 190.062194 142.9
[M+NH4]+ 209.103293 156.6
[M+K]+ 230.032628 138.0
[M+H-H2O]+ 174.066730 135.6
[M+HCOO]- 236.067671 167.3
[M+CH3COO]- 250.083321 183.4
[M+Na-2H]- 212.044136 147.1
[M]+ 191.06892142 135.7
[M]- 191.07001858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe