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

4
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 150.4
[M+Na]+ 246.11007 156.2
[M-H]- 222.11357 153.8
[M+NH4]+ 241.15467 168.3
[M+K]+ 262.08401 155.5
[M+H-H2O]+ 206.11811 143.7
[M+HCOO]- 268.11905 173.9
[M+CH3COO]- 282.13470 193.3
[M+Na-2H]- 244.09552 154.1
[M]+ 223.12030 153.4
[M]- 223.12140 153.4
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