CID 173216

Einecs 277-596-6

Structural Information

Molecular Formula
C16H32N2O3
SMILES
CCCCCCCCCCCC(=O)NCCNCC(=O)O
InChI
InChI=1S/C16H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-13-12-17-14-16(20)21/h17H,2-14H2,1H3,(H,18,19)(H,20,21)
InChIKey
VOSXYJCXYDUALE-UHFFFAOYSA-N
Compound name
2-[2-(dodecanoylamino)ethylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

300.2413 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.24858 178.9
[M+Na]+ 323.23052 179.8
[M-H]- 299.23402 175.9
[M+NH4]+ 318.27512 192.5
[M+K]+ 339.20446 177.3
[M+H-H2O]+ 283.23856 171.5
[M+HCOO]- 345.23950 199.0
[M+CH3COO]- 359.25515 209.8
[M+Na-2H]- 321.21597 178.2
[M]+ 300.24075 181.9
[M]- 300.24185 181.9
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