CID 11116171

5-azidopentanoic acid

Structural Information

Molecular Formula
C5H9N3O2
SMILES
C(CCN=[N+]=[N-])CC(=O)O
InChI
InChI=1S/C5H9N3O2/c6-8-7-4-2-1-3-5(9)10/h1-4H2,(H,9,10)
InChIKey
SBZDIRMBQJDCLB-UHFFFAOYSA-N
Compound name
5-azidopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

879
Patents

143.06947 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.076746 127.3
[M+Na]+ 166.058688 133.4
[M-H]- 142.062194 129.0
[M+NH4]+ 161.103293 148.1
[M+K]+ 182.032628 129.1
[M+H-H2O]+ 126.066730 126.3
[M+HCOO]- 188.067671 156.5
[M+CH3COO]- 202.083321 174.9
[M+Na-2H]- 164.044136 136.5
[M]+ 143.06892142 125.7
[M]- 143.07001858 125.7
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