CID 176049

(amino(4-hydroxyphenyl)methyl)phosphonic acid

Structural Information

Molecular Formula
C7H10NO4P
SMILES
C1=CC(=CC=C1C(N)P(=O)(O)O)O
InChI
InChI=1S/C7H10NO4P/c8-7(13(10,11)12)5-1-3-6(9)4-2-5/h1-4,7,9H,8H2,(H2,10,11,12)
InChIKey
IIGNXEUYSWJUFX-UHFFFAOYSA-N
Compound name
[amino-(4-hydroxyphenyl)methyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.03474 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04202 143.5
[M+Na]+ 226.02396 149.9
[M-H]- 202.02746 141.8
[M+NH4]+ 221.06856 160.2
[M+K]+ 241.99790 147.8
[M+H-H2O]+ 186.03200 136.1
[M+HCOO]- 248.03294 167.9
[M+CH3COO]- 262.04859 179.0
[M+Na-2H]- 224.00941 145.4
[M]+ 203.03419 140.7
[M]- 203.03529 140.7
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