CID 11804783

4-azidobutanoic acid

Structural Information

Molecular Formula
C4H7N3O2
SMILES
C(CC(=O)O)CN=[N+]=[N-]
InChI
InChI=1S/C4H7N3O2/c5-7-6-3-1-2-4(8)9/h1-3H2,(H,8,9)
InChIKey
WAGMYTXJRVPMGW-UHFFFAOYSA-N
Compound name
4-azidobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6725
Patents

129.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06111 122.5
[M+Na]+ 152.04305 129.1
[M-H]- 128.04655 124.4
[M+NH4]+ 147.08765 143.8
[M+K]+ 168.01699 125.0
[M+H-H2O]+ 112.05109 121.8
[M+HCOO]- 174.05203 152.0
[M+CH3COO]- 188.06768 171.8
[M+Na-2H]- 150.02850 132.2
[M]+ 129.05328 120.6
[M]- 129.05438 120.6
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