CID 5245108

Dl-serine, n-(3-(4-chlorophenyl)-3-oxopropyl)-

Structural Information

Molecular Formula
C12H14ClNO4
SMILES
C1=CC(=CC=C1C(=O)CCNC(CO)C(=O)O)Cl
InChI
InChI=1S/C12H14ClNO4/c13-9-3-1-8(2-4-9)11(16)5-6-14-10(7-15)12(17)18/h1-4,10,14-15H,5-7H2,(H,17,18)
InChIKey
MTSIZUSNQOPFLL-UHFFFAOYSA-N
Compound name
2-[[3-(4-chlorophenyl)-3-oxopropyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.06113 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.068406 157.6
[M+Na]+ 294.050348 163.2
[M-H]- 270.053854 158.2
[M+NH4]+ 289.094953 172.7
[M+K]+ 310.024288 159.3
[M+H-H2O]+ 254.058390 152.4
[M+HCOO]- 316.059331 173.1
[M+CH3COO]- 330.074981 194.4
[M+Na-2H]- 292.035796 158.8
[M]+ 271.06058142 159.1
[M]- 271.06167858 159.1
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

No patent data available for this compound.