CID 55836

88580-86-3

Structural Information

Molecular Formula
C12H18O3
SMILES
CC(=C)C1CC(C2(CC(=O)OC2C1)C)O
InChI
InChI=1S/C12H18O3/c1-7(2)8-4-9(13)12(3)6-11(14)15-10(12)5-8/h8-10,13H,1,4-6H2,2-3H3
InChIKey
OCZQJFJNWTYDNP-UHFFFAOYSA-N
Compound name
4-hydroxy-3a-methyl-6-prop-1-en-2-yl-3,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.1256 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13288 146.3
[M+Na]+ 233.11482 153.3
[M-H]- 209.11832 149.8
[M+NH4]+ 228.15942 168.3
[M+K]+ 249.08876 151.7
[M+H-H2O]+ 193.12286 142.8
[M+HCOO]- 255.12380 162.2
[M+CH3COO]- 269.13945 185.1
[M+Na-2H]- 231.10027 148.4
[M]+ 210.12505 143.6
[M]- 210.12615 143.6
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.