CID 14237305

Anisyloxycarbonyl-l-serine

Structural Information

Molecular Formula
C12H15NO6
SMILES
COC1=CC=C(C=C1)COC(=O)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C12H15NO6/c1-18-9-4-2-8(3-5-9)7-19-12(17)13-10(6-14)11(15)16/h2-5,10,14H,6-7H2,1H3,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKey
RMBWJEJTGNHCMK-JTQLQIEISA-N
Compound name
(2S)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

269.08994 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.097216 158.1
[M+Na]+ 292.079158 162.7
[M-H]- 268.082664 158.7
[M+NH4]+ 287.123763 172.3
[M+K]+ 308.053098 162.2
[M+H-H2O]+ 252.087200 151.2
[M+HCOO]- 314.088141 178.3
[M+CH3COO]- 328.103791 193.8
[M+Na-2H]- 290.064606 159.8
[M]+ 269.08939142 160.1
[M]- 269.09048858 160.1
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