CID 16755650

1beta-methylcarbapenem

Structural Information

Molecular Formula
C7H9NO
SMILES
C[C@H]1C=CN2[C@H]1CC2=O
InChI
InChI=1S/C7H9NO/c1-5-2-3-8-6(5)4-7(8)9/h2-3,5-6H,4H2,1H3/t5-,6-/m0/s1
InChIKey
YKMONJZIUAOVEM-WDSKDSINSA-N
Compound name
(4S,5S)-4-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

483
Patents

123.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 118.6
[M+Na]+ 146.05763 127.3
[M-H]- 122.06113 122.5
[M+NH4]+ 141.10223 136.5
[M+K]+ 162.03157 128.8
[M+H-H2O]+ 106.06567 109.3
[M+HCOO]- 168.06661 140.4
[M+CH3COO]- 182.08226 175.1
[M+Na-2H]- 144.04308 124.7
[M]+ 123.06786 127.7
[M]- 123.06896 127.7
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