CID 20985544

2137675-05-7

Structural Information

Molecular Formula
C13H19NO3
SMILES
CN(C)CCOC1=CC=C(C=C1)CCC(=O)O
InChI
InChI=1S/C13H19NO3/c1-14(2)9-10-17-12-6-3-11(4-7-12)5-8-13(15)16/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,16)
InChIKey
NIALLOYSNYDZMO-UHFFFAOYSA-N
Compound name
3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

237.13649 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.1
[M+Na]+ 260.12571 160.4
[M-H]- 236.12921 158.3
[M+NH4]+ 255.17031 172.4
[M+K]+ 276.09965 159.5
[M+H-H2O]+ 220.13375 148.1
[M+HCOO]- 282.13469 178.2
[M+CH3COO]- 296.15034 196.3
[M+Na-2H]- 258.11116 158.2
[M]+ 237.13594 158.4
[M]- 237.13704 158.4
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