CID 22093363

(2s)-3-(4-hydroxyphenyl)-2-[(oxolan-2-yl)formamido]propanoic acid

Structural Information

Molecular Formula
C14H17NO5
SMILES
C1CC(OC1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C14H17NO5/c16-10-5-3-9(4-6-10)8-11(14(18)19)15-13(17)12-2-1-7-20-12/h3-6,11-12,16H,1-2,7-8H2,(H,15,17)(H,18,19)/t11-,12?/m0/s1
InChIKey
WREBNZZCZWHLLS-PXYINDEMSA-N
Compound name
(2S)-3-(4-hydroxyphenyl)-2-(oxolane-2-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

279.1107 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.117976 163.5
[M+Na]+ 302.099918 166.4
[M-H]- 278.103424 167.5
[M+NH4]+ 297.144523 177.3
[M+K]+ 318.073858 165.5
[M+H-H2O]+ 262.107960 156.7
[M+HCOO]- 324.108901 181.2
[M+CH3COO]- 338.124551 194.9
[M+Na-2H]- 300.085366 163.4
[M]+ 279.11015142 160.8
[M]- 279.11124858 160.8
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

patents stripe