CID 24860535

N-hexanoyl-l-homoserine

Structural Information

Molecular Formula
C10H19NO4
SMILES
CCCCCC(=O)N[C@@H](CCO)C(=O)O
InChI
InChI=1S/C10H19NO4/c1-2-3-4-5-9(13)11-8(6-7-12)10(14)15/h8,12H,2-7H2,1H3,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKey
BJLILZXVIKTHKQ-QMMMGPOBSA-N
Compound name
(2S)-2-(hexanoylamino)-4-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

78
References

127
Patents

217.13141 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe