CID 102286204

(3-azidopropyl)phosphonic acid

Structural Information

Molecular Formula

C₃H₈N₃O₃P

SMILES

C(CN=[N+]=[N-])CP(=O)(O)O

InChI

InChI=1S/C3H8N3O3P/c4-6-5-2-1-3-10(7,8)9/h1-3H2,(H2,7,8,9)

InChIKey

DNZOJKWZPZNGEO-UHFFFAOYSA-N

Compound name

3-azidopropylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 165.03033 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	166.03761	129.0
[M+Na]+	188.01955	135.7
[M-H]-	164.02305	128.8
[M+NH4]+	183.06415	149.0
[M+K]+	203.99349	131.0
[M+H-H2O]+	148.02759	126.8
[M+HCOO]-	210.02853	162.2
[M+CH3COO]-	224.04418	174.3
[M+Na-2H]-	186.00500	138.6
[M]+	165.02978	128.0
[M]-	165.03088	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe