CID 61398244

2-{3-[2-(dimethylamino)ethoxy]phenyl}acetic acid

Structural Information

Molecular Formula
C12H17NO3
SMILES
CN(C)CCOC1=CC=CC(=C1)CC(=O)O
InChI
InChI=1S/C12H17NO3/c1-13(2)6-7-16-11-5-3-4-10(8-11)9-12(14)15/h3-5,8H,6-7,9H2,1-2H3,(H,14,15)
InChIKey
LWIXUAUAJKFCCX-UHFFFAOYSA-N
Compound name
2-[3-[2-(dimethylamino)ethoxy]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.5
[M+Na]+ 246.11007 160.9
[M+NH4]+ 241.15467 157.5
[M+K]+ 262.08401 155.8
[M-H]- 222.11357 151.9
[M+Na-2H]- 244.09552 155.8
[M]+ 223.12030 152.1
[M]- 223.12140 152.1
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

No patent data available for this compound.