CID 365701

Acylfulvene

Structural Information

Molecular Formula
C14H16O2
SMILES
CC1=CC2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C
InChI
InChI=1S/C14H16O2/c1-8-6-10-9(2)14(4-5-14)13(3,16)12(15)11(10)7-8/h6-7,16H,4-5H2,1-3H3/t13-/m0/s1
InChIKey
HLAKJNQXUARACO-ZDUSSCGKSA-N
Compound name
(5'R)-5'-hydroxy-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

7987
Patents

216.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 146.5
[M+Na]+ 239.10426 159.7
[M-H]- 215.10776 154.0
[M+NH4]+ 234.14886 167.5
[M+K]+ 255.07820 155.5
[M+H-H2O]+ 199.11230 143.4
[M+HCOO]- 261.11324 166.7
[M+CH3COO]- 275.12889 190.5
[M+Na-2H]- 237.08971 151.9
[M]+ 216.11449 151.0
[M]- 216.11559 151.0
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