CID 3025444

Phosphonic acid, (m-butylaminophenyl)-

Structural Information

Molecular Formula
C10H16NO3P
SMILES
CCCCNC1=CC(=CC=C1)P(=O)(O)O
InChI
InChI=1S/C10H16NO3P/c1-2-3-7-11-9-5-4-6-10(8-9)15(12,13)14/h4-6,8,11H,2-3,7H2,1H3,(H2,12,13,14)
InChIKey
MOUFJMAIMWPPCZ-UHFFFAOYSA-N
Compound name
[3-(butylamino)phenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08678 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09406 152.0
[M+Na]+ 252.07600 161.2
[M+NH4]+ 247.12060 158.0
[M+K]+ 268.04994 156.8
[M-H]- 228.07950 151.7
[M+Na-2H]- 250.06145 156.1
[M]+ 229.08623 152.9
[M]- 229.08733 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.