CID 91820478

3-[(1s)-cyclohex-3-en-1-yl)]-2-oxopropanoate

Structural Information

Molecular Formula
C9H12O3
SMILES
C1CC=C[C@@H](C1)CC(=O)C(=O)O
InChI
InChI=1S/C9H12O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2,(H,11,12)/t7-/m0/s1
InChIKey
USBNKSOGWINKLJ-ZETCQYMHSA-N
Compound name
3-[(1S)-cyclohex-2-en-1-yl]-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

168.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 136.2
[M+Na]+ 191.06786 145.8
[M+NH4]+ 186.11246 143.4
[M+K]+ 207.04180 141.4
[M-H]- 167.07136 136.3
[M+Na-2H]- 189.05331 140.2
[M]+ 168.07809 137.2
[M]- 168.07919 137.2
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

No patent data available for this compound.