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

19
Patents

251.11575 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 156.1
[M+Na]+ 274.10497 160.4
[M-H]- 250.10847 159.7
[M+NH4]+ 269.14957 169.1
[M+K]+ 290.07891 159.4
[M+H-H2O]+ 234.11301 147.8
[M+HCOO]- 296.11395 172.8
[M+CH3COO]- 310.12960 189.6
[M+Na-2H]- 272.09042 160.3
[M]+ 251.11520 154.6
[M]- 251.11630 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