CID 19489

Ketomycin

Structural Information

Molecular Formula
C8H10O3
SMILES
C1C[C@H](CC=C1)C(=O)C(=O)O
InChI
InChI=1S/C8H10O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,10,11)/t6-/m0/s1
InChIKey
XJVDGWZMESEVTD-LURJTMIESA-N
Compound name
2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

53
Patents

154.06299 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.7
[M+Na]+ 177.05221 136.0
[M-H]- 153.05571 132.5
[M+NH4]+ 172.09681 150.5
[M+K]+ 193.02615 135.2
[M+H-H2O]+ 137.06025 125.5
[M+HCOO]- 199.06119 150.3
[M+CH3COO]- 213.07684 172.4
[M+Na-2H]- 175.03766 134.6
[M]+ 154.06244 127.2
[M]- 154.06354 127.2
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