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]+ 190.143766 145.1
[M+Na]+ 212.125708 149.9
[M-H]- 188.129214 144.8
[M+NH4]+ 207.170313 164.4
[M+K]+ 228.099648 150.6
[M+H-H2O]+ 172.133750 139.3
[M+HCOO]- 234.134691 167.8
[M+CH3COO]- 248.150341 187.8
[M+Na-2H]- 210.111156 148.2
[M]+ 189.13594142 149.0
[M]- 189.13703858 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.