CID 443994

N-acetyl-6-oxo-l-norleucine

Structural Information

Molecular Formula
C8H13NO4
SMILES
CC(=O)N[C@@H](CCCC=O)C(=O)O
InChI
InChI=1S/C8H13NO4/c1-6(11)9-7(8(12)13)4-2-3-5-10/h5,7H,2-4H2,1H3,(H,9,11)(H,12,13)/t7-/m0/s1
InChIKey
CRVYRJLIQHSUOQ-ZETCQYMHSA-N
Compound name
(2S)-2-acetamido-6-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

187.08446 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 141.0
[M+Na]+ 210.07368 146.2
[M-H]- 186.07718 139.7
[M+NH4]+ 205.11828 159.4
[M+K]+ 226.04762 146.0
[M+H-H2O]+ 170.08172 135.7
[M+HCOO]- 232.08266 162.2
[M+CH3COO]- 246.09831 182.7
[M+Na-2H]- 208.05913 143.0
[M]+ 187.08391 141.9
[M]- 187.08501 141.9
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

No patent data available for this compound.