CID 12784668

5-amino-2-(thiomorpholin-4-yl)benzoic acid

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
C1CSCCN1C2=C(C=C(C=C2)N)C(=O)O
InChI
InChI=1S/C11H14N2O2S/c12-8-1-2-10(9(7-8)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2,(H,14,15)
InChIKey
HTDMMZILJVIOAE-UHFFFAOYSA-N
Compound name
5-amino-2-thiomorpholin-4-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

238.0776 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08488 150.5
[M+Na]+ 261.06682 160.8
[M+NH4]+ 256.11142 158.4
[M+K]+ 277.04076 153.8
[M-H]- 237.07032 153.6
[M+Na-2H]- 259.05227 156.1
[M]+ 238.07705 153.0
[M]- 238.07815 153.0
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