CID 6504230

856789-38-3

Structural Information

Molecular Formula
C13H17NO4
SMILES
C1COCCN1CCOC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C13H17NO4/c15-13(16)11-3-1-2-4-12(11)18-10-7-14-5-8-17-9-6-14/h1-4H,5-10H2,(H,15,16)
InChIKey
DSVCENFXJDYZHH-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

251.11575 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 156.1
[M+Na]+ 274.104968 160.4
[M-H]- 250.108474 159.7
[M+NH4]+ 269.149573 169.1
[M+K]+ 290.078908 159.4
[M+H-H2O]+ 234.113010 147.8
[M+HCOO]- 296.113951 172.8
[M+CH3COO]- 310.129601 189.6
[M+Na-2H]- 272.090416 160.3
[M]+ 251.11520142 154.6
[M]- 251.11629858 154.6
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

patents stripe