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

11
Patents

237.13649 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 155.1
[M+Na]+ 260.125708 160.4
[M-H]- 236.129214 158.3
[M+NH4]+ 255.170313 172.4
[M+K]+ 276.099648 159.5
[M+H-H2O]+ 220.133750 148.1
[M+HCOO]- 282.134691 178.2
[M+CH3COO]- 296.150341 196.3
[M+Na-2H]- 258.111156 158.2
[M]+ 237.13594142 158.4
[M]- 237.13703858 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