CID 6484114

2-(4-chlorophenyl)-2-(morpholin-4-yl)acetic acid

Structural Information

Molecular Formula
C12H14ClNO3
SMILES
C1COCCN1C(C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)
InChIKey
JPMCHPNNLFZQMS-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06622 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07350 154.3
[M+Na]+ 278.05544 159.6
[M-H]- 254.05894 158.1
[M+NH4]+ 273.10004 168.1
[M+K]+ 294.02938 157.0
[M+H-H2O]+ 238.06348 147.2
[M+HCOO]- 300.06442 165.6
[M+CH3COO]- 314.08007 189.2
[M+Na-2H]- 276.04089 157.3
[M]+ 255.06567 152.6
[M]- 255.06677 152.6
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.