CID 101132790

83994-34-7

Structural Information

Molecular Formula
C10H14O3
SMILES
CC1=CCC(CC1=O)C(C)C(=O)O
InChI
InChI=1S/C10H14O3/c1-6-3-4-8(5-9(6)11)7(2)10(12)13/h3,7-8H,4-5H2,1-2H3,(H,12,13)
InChIKey
WBPNIFAWLPCWGX-UHFFFAOYSA-N
Compound name
2-(4-methyl-5-oxocyclohex-3-en-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 139.5
[M+Na]+ 205.08352 149.6
[M+NH4]+ 200.12812 146.6
[M+K]+ 221.05746 145.4
[M-H]- 181.08702 139.6
[M+Na-2H]- 203.06897 142.8
[M]+ 182.09375 140.6
[M]- 182.09485 140.6
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.