CID 156203

Peperinic acid

Structural Information

Molecular Formula
C10H14O3
SMILES
CC1CCC2=C(C(=O)OC2(C1)O)C
InChI
InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3
InChIKey
LBNWZGLSMCTAQB-UHFFFAOYSA-N
Compound name
7a-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

182.0943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 137.4
[M+Na]+ 205.08352 148.1
[M+NH4]+ 200.12812 147.4
[M+K]+ 221.05746 143.2
[M-H]- 181.08702 139.6
[M+Na-2H]- 203.06897 141.2
[M]+ 182.09375 139.5
[M]- 182.09485 139.5
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