CID 17910357

3-[ethyl(methyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
CCN(C)CCC(=O)O
InChI
InChI=1S/C6H13NO2/c1-3-7(2)5-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKey
LKLDBSCPCALXOE-UHFFFAOYSA-N
Compound name
3-[ethyl(methyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

131.09464 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 128.4
[M+Na]+ 154.083858 134.6
[M-H]- 130.087364 128.8
[M+NH4]+ 149.128463 150.1
[M+K]+ 170.057798 135.6
[M+H-H2O]+ 114.091900 123.5
[M+HCOO]- 176.092841 151.9
[M+CH3COO]- 190.108491 176.7
[M+Na-2H]- 152.069306 133.1
[M]+ 131.09409142 129.8
[M]- 131.09518858 129.8
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