CID 10220388

120709-09-3

Structural Information

Molecular Formula
C10H12N2O3S
SMILES
C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
InChI
InChI=1S/C10H12N2O3S/c1-2-3-5-4-16-9-6(11)8(13)12(9)7(5)10(14)15/h2-3,6,9H,4,11H2,1H3,(H,14,15)/b3-2+/t6-,9-/m1/s1
InChIKey
ZYLDQHILNOZKIF-DHLUJLSBSA-N
Compound name
(6R,7R)-7-amino-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

240.05687 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06415 152.9
[M+Na]+ 263.04609 157.0
[M+NH4]+ 258.09069 155.2
[M+K]+ 279.02003 153.3
[M-H]- 239.04959 149.6
[M+Na-2H]- 261.03154 150.9
[M]+ 240.05632 151.4
[M]- 240.05742 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe