CID 137333766

Chebi:194341

Structural Information

Molecular Formula
C12H23NO4
SMILES
CCCCCCC[C@H](CC(=O)O)NCC(=O)O
InChI
InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKey
DKLSSPDDVJYWNG-SNVBAGLBSA-N
Compound name
(3R)-3-(carboxymethylamino)decanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1627 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 161.2
[M+Na]+ 268.15192 163.9
[M-H]- 244.15542 157.6
[M+NH4]+ 263.19652 176.5
[M+K]+ 284.12586 162.5
[M+H-H2O]+ 228.15996 155.1
[M+HCOO]- 290.16090 179.3
[M+CH3COO]- 304.17655 193.8
[M+Na-2H]- 266.13737 160.5
[M]+ 245.16215 162.5
[M]- 245.16325 162.5
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.