CID 3066086

Brn 1806901

Structural Information

Molecular Formula
C14H24N2O6
SMILES
C(CCCCC(=O)NCC(=O)O)CCCC(=O)NCC(=O)O
InChI
InChI=1S/C14H24N2O6/c17-11(15-9-13(19)20)7-5-3-1-2-4-6-8-12(18)16-10-14(21)22/h1-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)
InChIKey
FGZHLZSBRJQCHU-UHFFFAOYSA-N
Compound name
2-[[10-(carboxymethylamino)-10-oxodecanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

316.16342 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.170696 175.3
[M+Na]+ 339.152638 176.3
[M-H]- 315.156144 171.3
[M+NH4]+ 334.197243 186.9
[M+K]+ 355.126578 175.2
[M+H-H2O]+ 299.160680 168.0
[M+HCOO]- 361.161621 193.6
[M+CH3COO]- 375.177271 207.5
[M+Na-2H]- 337.138086 173.0
[M]+ 316.16287142 177.0
[M]- 316.16396858 177.0
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