CID 13293131

Carbapenem

Structural Information

Molecular Formula
C6H7NO
SMILES
C1C=CN2[C@H]1CC2=O
InChI
InChI=1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1,3,5H,2,4H2/t5-/m1/s1
InChIKey
YZBQHRLRFGPBSL-RXMQYKEDSA-N
Compound name
(5R)-1-azabicyclo[3.2.0]hept-2-en-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9753
References

25761
Patents

109.052765 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 113.8
[M+Na]+ 132.04198 122.0
[M-H]- 108.04549 117.4
[M+NH4]+ 127.08659 131.9
[M+K]+ 148.01592 123.8
[M+H-H2O]+ 92.050025 104.3
[M+HCOO]- 154.05097 135.9
[M+CH3COO]- 168.06662 171.1
[M+Na-2H]- 130.02743 121.1
[M]+ 109.05222 122.1
[M]- 109.05331 122.1
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