CID 9796283

Am-112

Structural Information

Molecular Formula
C14H22N2O5
SMILES
C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(O2)C(C)(C)CCCN)C(=O)O)O
InChI
InChI=1S/C14H22N2O5/c1-7(17)8-11(18)16-9(13(19)20)10(21-12(8)16)14(2,3)5-4-6-15/h7-8,12,17H,4-6,15H2,1-3H3,(H,19,20)/t7-,8+,12-/m1/s1
InChIKey
MJNFEDQKHJZAEX-RGNHYFCHSA-N
Compound name
(5R,6R)-3-(5-amino-2-methylpentan-2-yl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

12
Patents

298.15286 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16014 175.8
[M+Na]+ 321.14208 176.9
[M+NH4]+ 316.18668 175.2
[M+K]+ 337.11602 179.6
[M-H]- 297.14558 170.8
[M+Na-2H]- 319.12753 169.9
[M]+ 298.15231 172.7
[M]- 298.15341 172.7
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