CID 176514990

Rac-(1r,4s,5s)-8-(hydroxymethyl)-4-isopropyl-1-methyl-spiro[4.5]dec-7-en-9-one

Structural Information

Molecular Formula
C15H24O2
SMILES
C[C@@H]1CC[C@H]([C@]12CC=C(C(=O)C2)CO)C(C)C
InChI
InChI=1S/C15H24O2/c1-10(2)13-5-4-11(3)15(13)7-6-12(9-16)14(17)8-15/h6,10-11,13,16H,4-5,7-9H2,1-3H3/t11-,13+,15+/m1/s1
InChIKey
IFUIJDXZJFHBTH-ZLDLUXBVSA-N
Compound name
(1R,4S,5S)-8-(hydroxymethyl)-1-methyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 156.9
[M+Na]+ 259.16685 162.9
[M-H]- 235.17035 160.9
[M+NH4]+ 254.21145 178.5
[M+K]+ 275.14079 159.7
[M+H-H2O]+ 219.17489 152.2
[M+HCOO]- 281.17583 173.9
[M+CH3COO]- 295.19148 191.2
[M+Na-2H]- 257.15230 156.2
[M]+ 236.17708 153.2
[M]- 236.17818 153.2
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.