CID 18600969

N,n-dihydroxy-l-phenylalanine

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)N(O)O
InChI
InChI=1S/C9H11NO4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8,13-14H,6H2,(H,11,12)/t8-/m0/s1
InChIKey
IDBRDXGJPFCEFF-QMMMGPOBSA-N
Compound name
(2S)-2-(dihydroxyamino)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

8022
Patents

197.0688 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 140.8
[M+Na]+ 220.058018 145.7
[M-H]- 196.061524 141.6
[M+NH4]+ 215.102623 157.8
[M+K]+ 236.031958 145.0
[M+H-H2O]+ 180.066060 134.7
[M+HCOO]- 242.067001 161.4
[M+CH3COO]- 256.082651 181.2
[M+Na-2H]- 218.043466 144.5
[M]+ 197.06825142 139.3
[M]- 197.06934858 139.3
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