CID 155604

3-azidopropanoic acid

Structural Information

Molecular Formula
C3H5N3O2
SMILES
C(CN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C3H5N3O2/c4-6-5-2-1-3(7)8/h1-2H2,(H,7,8)
InChIKey
YIPVUXAMZQBALD-UHFFFAOYSA-N
Compound name
3-azidopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

381
Patents

115.03818 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.045456 117.8
[M+Na]+ 138.027398 124.7
[M-H]- 114.030904 119.8
[M+NH4]+ 133.072003 139.6
[M+K]+ 154.001338 120.9
[M+H-H2O]+ 98.035440 117.2
[M+HCOO]- 160.036381 147.6
[M+CH3COO]- 174.052031 168.7
[M+Na-2H]- 136.012846 128.0
[M]+ 115.03763142 115.5
[M]- 115.03872858 115.5
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