CID 176472609

4-[carboxymethyl-[2-(dodecylamino)ethyl]amino]butanoic acid

Structural Information

Molecular Formula
C20H40N2O4
SMILES
CCCCCCCCCCCCNCCN(CCCC(=O)O)CC(=O)O
InChI
InChI=1S/C20H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-17-22(18-20(25)26)16-12-13-19(23)24/h21H,2-18H2,1H3,(H,23,24)(H,25,26)
InChIKey
RWTYKRVBFHVXOI-UHFFFAOYSA-N
Compound name
4-[carboxymethyl-[2-(dodecylamino)ethyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2988 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.306076 199.3
[M+Na]+ 395.288018 198.0
[M-H]- 371.291524 195.4
[M+NH4]+ 390.332623 213.7
[M+K]+ 411.261958 195.7
[M+H-H2O]+ 355.296060 191.0
[M+HCOO]- 417.297001 217.6
[M+CH3COO]- 431.312651 225.2
[M+Na-2H]- 393.273466 195.4
[M]+ 372.29825142 204.6
[M]- 372.29934858 204.6
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.