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]+ 218.138686 152.4
[M+Na]+ 240.120628 156.0
[M-H]- 216.124134 149.2
[M+NH4]+ 235.165233 168.9
[M+K]+ 256.094568 155.1
[M+H-H2O]+ 200.128670 146.7
[M+HCOO]- 262.129611 171.2
[M+CH3COO]- 276.145261 187.2
[M+Na-2H]- 238.106076 152.7
[M]+ 217.13086142 152.8
[M]- 217.13195858 152.8
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.