CID 9794358

Clasto-lactacystin beta-lactone

Structural Information

Molecular Formula
C10H15NO4
SMILES
C[C@@H]1[C@H]2[C@](C(=O)O2)(NC1=O)[C@H](C(C)C)O
InChI
InChI=1S/C10H15NO4/c1-4(2)6(12)10-7(15-9(10)14)5(3)8(13)11-10/h4-7,12H,1-3H3,(H,11,13)/t5-,6+,7+,10-/m1/s1
InChIKey
FWPWHHUJACGNMZ-NBBQQVJHSA-N
Compound name
(1R,4R,5S)-1-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

72
References

662
Patents

213.10011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 146.7
[M+Na]+ 236.08933 152.6
[M-H]- 212.09283 148.0
[M+NH4]+ 231.13393 159.7
[M+K]+ 252.06327 154.9
[M+H-H2O]+ 196.09737 138.3
[M+HCOO]- 258.09831 160.4
[M+CH3COO]- 272.11396 187.2
[M+Na-2H]- 234.07478 147.9
[M]+ 213.09956 155.0
[M]- 213.10066 155.0
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