CID 43467248

2-[(2-acetamidoethyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H14N2O3
SMILES
CC(C(=O)O)NCCNC(=O)C
InChI
InChI=1S/C7H14N2O3/c1-5(7(11)12)8-3-4-9-6(2)10/h5,8H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey
UYLPRHJFYLPHEW-UHFFFAOYSA-N
Compound name
2-(2-acetamidoethylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10045 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.107726 139.5
[M+Na]+ 197.089668 144.0
[M-H]- 173.093174 138.3
[M+NH4]+ 192.134273 158.1
[M+K]+ 213.063608 144.2
[M+H-H2O]+ 157.097710 133.9
[M+HCOO]- 219.098651 161.6
[M+CH3COO]- 233.114301 183.6
[M+Na-2H]- 195.075116 142.0
[M]+ 174.09990142 138.4
[M]- 174.10099858 138.4
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

No patent data available for this compound.