CID 42607281

N-(3s-hydroxydecanoyl)-l-serine

Structural Information

Molecular Formula
C13H25NO5
SMILES
CCCCCCC[C@@H](CC(=O)N[C@@H](CO)C(=O)O)O
InChI
InChI=1S/C13H25NO5/c1-2-3-4-5-6-7-10(16)8-12(17)14-11(9-15)13(18)19/h10-11,15-16H,2-9H2,1H3,(H,14,17)(H,18,19)/t10-,11-/m0/s1
InChIKey
NDDJIMSGSZNACM-QWRGUYRKSA-N
Compound name
(2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

275.17328 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18056 169.0
[M+Na]+ 298.16250 170.5
[M-H]- 274.16600 163.8
[M+NH4]+ 293.20710 182.2
[M+K]+ 314.13644 169.2
[M+H-H2O]+ 258.17054 162.8
[M+HCOO]- 320.17148 184.5
[M+CH3COO]- 334.18713 196.9
[M+Na-2H]- 296.14795 166.0
[M]+ 275.17273 169.4
[M]- 275.17383 169.4
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