CID 258360

(2-amino-5-methylphenyl)phosphonic acid

Structural Information

Molecular Formula
C7H10NO3P
SMILES
CC1=CC(=C(C=C1)N)P(=O)(O)O
InChI
InChI=1S/C7H10NO3P/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKey
WFEPUKFABWDABK-UHFFFAOYSA-N
Compound name
(2-amino-5-methylphenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

187.03983 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04711 139.7
[M+Na]+ 210.02905 148.0
[M-H]- 186.03255 139.8
[M+NH4]+ 205.07365 158.5
[M+K]+ 226.00299 145.7
[M+H-H2O]+ 170.03709 132.7
[M+HCOO]- 232.03803 166.6
[M+CH3COO]- 246.05368 179.4
[M+Na-2H]- 208.01450 142.6
[M]+ 187.03928 138.5
[M]- 187.04038 138.5
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