CID 115741294

3-[(4-methoxybutyl)(methyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H19NO3
SMILES
CN(CCCCOC)CCC(=O)O
InChI
InChI=1S/C9H19NO3/c1-10(7-5-9(11)12)6-3-4-8-13-2/h3-8H2,1-2H3,(H,11,12)
InChIKey
ICAXZHRPIBMYQX-UHFFFAOYSA-N
Compound name
3-[4-methoxybutyl(methyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.13649 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14377 145.1
[M+Na]+ 212.12571 149.9
[M-H]- 188.12921 144.8
[M+NH4]+ 207.17031 164.4
[M+K]+ 228.09965 150.6
[M+H-H2O]+ 172.13375 139.3
[M+HCOO]- 234.13469 167.8
[M+CH3COO]- 248.15034 187.8
[M+Na-2H]- 210.11116 148.2
[M]+ 189.13594 149.0
[M]- 189.13704 149.0
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

No patent data available for this compound.