CID 4137803

4-hydroxy-3-(morpholinomethyl)benzoic acid hydrate

Structural Information

Molecular Formula
C12H15NO4
SMILES
C1COCCN1CC2=C(C=CC(=C2)C(=O)O)O
InChI
InChI=1S/C12H15NO4/c14-11-2-1-9(12(15)16)7-10(11)8-13-3-5-17-6-4-13/h1-2,7,14H,3-6,8H2,(H,15,16)
InChIKey
FKOLPZLYCMWJNH-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(morpholin-4-ylmethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

84
Patents

237.10011 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 152.2
[M+Na]+ 260.08933 157.4
[M-H]- 236.09283 155.0
[M+NH4]+ 255.13393 165.4
[M+K]+ 276.06327 155.8
[M+H-H2O]+ 220.09737 144.6
[M+HCOO]- 282.09831 167.7
[M+CH3COO]- 296.11396 185.5
[M+Na-2H]- 258.07478 155.7
[M]+ 237.09956 149.0
[M]- 237.10066 149.0
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