CID 145740376

Chebi:176971

Structural Information

Molecular Formula
C15H25NO5
SMILES
C/C(=C\CN[C@@H](CCC(=O)O)C(=O)O)/CC/C=C(\C)/CO
InChI
InChI=1S/C15H25NO5/c1-11(4-3-5-12(2)10-17)8-9-16-13(15(20)21)6-7-14(18)19/h5,8,13,16-17H,3-4,6-7,9-10H2,1-2H3,(H,18,19)(H,20,21)/b11-8+,12-5+/t13-/m0/s1
InChIKey
DIFCQUCKDCMGLZ-KCXYUNALSA-N
Compound name
(2S)-2-[[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.17328 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.180556 175.4
[M+Na]+ 322.162498 176.6
[M-H]- 298.166004 170.0
[M+NH4]+ 317.207103 187.5
[M+K]+ 338.136438 174.2
[M+H-H2O]+ 282.170540 169.2
[M+HCOO]- 344.171481 189.7
[M+CH3COO]- 358.187131 201.6
[M+Na-2H]- 320.147946 170.2
[M]+ 299.17273142 174.4
[M]- 299.17382858 174.4
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.