CID 210874

21813-63-8

Structural Information

Molecular Formula
C14H16ClNO4
SMILES
C1COCCN1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C14H16ClNO4/c15-11-3-1-10(2-4-11)13(17)9-12(14(18)19)16-5-7-20-8-6-16/h1-4,12H,5-9H2,(H,18,19)
InChIKey
FPXCVLARBMPLMQ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2-morpholin-4-yl-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.07678 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08406 164.4
[M+Na]+ 320.06600 168.7
[M-H]- 296.06950 167.9
[M+NH4]+ 315.11060 176.2
[M+K]+ 336.03994 166.2
[M+H-H2O]+ 280.07404 157.0
[M+HCOO]- 342.07498 174.4
[M+CH3COO]- 356.09063 197.5
[M+Na-2H]- 318.05145 165.4
[M]+ 297.07623 163.6
[M]- 297.07733 163.6
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.