CID 440550

(4s)-4-amino-5-methoxy-5-oxopentanoic acid

Structural Information

Molecular Formula
C6H11NO4
SMILES
COC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C6H11NO4/c1-11-6(10)4(7)2-3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1
InChIKey
SEWIYICDCVPBEW-BYPYZUCNSA-N
Compound name
(4S)-4-amino-5-methoxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1318
Patents

161.0688 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.076076 133.8
[M+Na]+ 184.058018 139.6
[M-H]- 160.061524 132.3
[M+NH4]+ 179.102623 153.0
[M+K]+ 200.031958 140.2
[M+H-H2O]+ 144.066060 128.7
[M+HCOO]- 206.067001 154.9
[M+CH3COO]- 220.082651 177.0
[M+Na-2H]- 182.043466 135.7
[M]+ 161.06825142 133.6
[M]- 161.06934858 133.6
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