CID 3072676

143673-89-6

Structural Information

Molecular Formula
C13H22N2O6
SMILES
C(CCCC(=O)NCC(=O)O)CCCC(=O)NCC(=O)O
InChI
InChI=1S/C13H22N2O6/c16-10(14-8-12(18)19)6-4-2-1-3-5-7-11(17)15-9-13(20)21/h1-9H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
InChIKey
BTNOMERAILJNMK-UHFFFAOYSA-N
Compound name
2-[[9-(carboxymethylamino)-9-oxononanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

478
Patents

302.1478 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15508 171.5
[M+Na]+ 325.13702 173.8
[M+NH4]+ 320.18162 172.7
[M+K]+ 341.11096 172.9
[M-H]- 301.14052 166.0
[M+Na-2H]- 323.12247 168.2
[M]+ 302.14725 169.1
[M]- 302.14835 169.1
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