CID 13451325

89896-03-7

Structural Information

Molecular Formula
C7H13NO4
SMILES
CN(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C7H13NO4/c1-8(4-2-6(9)10)5-3-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKey
IPQKIOGNAKWLSO-UHFFFAOYSA-N
Compound name
3-[2-carboxyethyl(methyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

175.08446 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 137.7
[M+Na]+ 198.07368 143.0
[M-H]- 174.07718 136.5
[M+NH4]+ 193.11828 156.6
[M+K]+ 214.04762 143.6
[M+H-H2O]+ 158.08172 132.4
[M+HCOO]- 220.08266 159.0
[M+CH3COO]- 234.09831 181.3
[M+Na-2H]- 196.05913 140.2
[M]+ 175.08391 139.0
[M]- 175.08501 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

literature stripe

Patent stripe

patents stripe