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]+ 280.11798 163.5
[M+Na]+ 302.09992 166.4
[M-H]- 278.10342 167.5
[M+NH4]+ 297.14452 177.3
[M+K]+ 318.07386 165.5
[M+H-H2O]+ 262.10796 156.7
[M+HCOO]- 324.10890 181.2
[M+CH3COO]- 338.12455 194.9
[M+Na-2H]- 300.08537 163.4
[M]+ 279.11015 160.8
[M]- 279.11125 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