CID 99642563

N-octanoyl-(2s)-hydroxyglycine

Structural Information

Molecular Formula
C10H19NO4
SMILES
CCCCCCCC(=O)N[C@H](C(=O)O)O
InChI
InChI=1S/C10H19NO4/c1-2-3-4-5-6-7-8(12)11-9(13)10(14)15/h9,13H,2-7H2,1H3,(H,11,12)(H,14,15)/t9-/m0/s1
InChIKey
HBGXZSWRZZHJKJ-VIFPVBQESA-N
Compound name
(2S)-2-hydroxy-2-(octanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.13141 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 151.7
[M+Na]+ 240.12063 157.2
[M+NH4]+ 235.16523 155.9
[M+K]+ 256.09457 154.7
[M-H]- 216.12413 148.0
[M+Na-2H]- 238.10608 151.0
[M]+ 217.13086 150.7
[M]- 217.13196 150.7
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.