CID 3035546

6-(methyoxymethylene)penicillanic acid

Structural Information

Molecular Formula
C10H13NO4S
SMILES
CC1([C@@H](N2[C@H](S1)/C(=C\OC)/C2=O)C(=O)O)C
InChI
InChI=1S/C10H13NO4S/c1-10(2)6(9(13)14)11-7(12)5(4-15-3)8(11)16-10/h4,6,8H,1-3H3,(H,13,14)/b5-4-/t6-,8+/m0/s1
InChIKey
PRRZHIROMDJJKW-RVLTZIEQSA-N
Compound name
(2S,5R,6Z)-6-(methoxymethylidene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.05653 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 154.7
[M+Na]+ 266.04575 157.9
[M+NH4]+ 261.09035 158.1
[M+K]+ 282.01969 154.6
[M-H]- 242.04925 149.8
[M+Na-2H]- 264.03120 152.6
[M]+ 243.05598 152.7
[M]- 243.05708 152.7
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

No patent data available for this compound.