CID 20553414

3-[2-(dimethylamino)ethoxy]propanoic acid

Structural Information

Molecular Formula
C7H15NO3
SMILES
CN(C)CCOCCC(=O)O
InChI
InChI=1S/C7H15NO3/c1-8(2)4-6-11-5-3-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKey
OJAQWKFTOSQYPY-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

161.1052 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.112476 135.8
[M+Na]+ 184.094418 141.5
[M-H]- 160.097924 135.9
[M+NH4]+ 179.139023 156.2
[M+K]+ 200.068358 142.7
[M+H-H2O]+ 144.102460 130.4
[M+HCOO]- 206.103401 159.2
[M+CH3COO]- 220.119051 181.8
[M+Na-2H]- 182.079866 140.0
[M]+ 161.10465142 139.0
[M]- 161.10574858 139.0
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