CID 135563676

N-decanoyl-(2s)-hydroxyglycine

Structural Information

Molecular Formula
C12H23NO4
SMILES
CCCCCCCCCC(=O)N[C@H](C(=O)O)O
InChI
InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-8-9-10(14)13-11(15)12(16)17/h11,15H,2-9H2,1H3,(H,13,14)(H,16,17)/t11-/m0/s1
InChIKey
TXYMGWWVRQYAHW-NSHDSACASA-N
Compound name
(2S)-2-(decanoylamino)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1627 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 160.4
[M+Na]+ 268.15192 165.4
[M+NH4]+ 263.19652 164.2
[M+K]+ 284.12586 162.5
[M-H]- 244.15542 156.6
[M+Na-2H]- 266.13737 159.1
[M]+ 245.16215 159.2
[M]- 245.16325 159.2
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.