CID 15958468

(2z,3r,4s)-2-but-2-ynylidene-10-oxaspiro[4.5]decane-3,4-diol

Structural Information

Molecular Formula
C13H18O3
SMILES
CC#C/C=C\1/CC2(CCCCO2)[C@H]([C@@H]1O)O
InChI
InChI=1S/C13H18O3/c1-2-3-6-10-9-13(12(15)11(10)14)7-4-5-8-16-13/h6,11-12,14-15H,4-5,7-9H2,1H3/b10-6-/t11-,12+,13?/m1/s1
InChIKey
RZEXIMRXKVYRLP-HEZLASQDSA-N
Compound name
(2Z,3R,4S)-2-but-2-ynylidene-6-oxaspiro[4.5]decane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.1256 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13288 151.3
[M+Na]+ 245.11482 160.3
[M-H]- 221.11832 153.0
[M+NH4]+ 240.15942 169.2
[M+K]+ 261.08876 153.9
[M+H-H2O]+ 205.12286 141.0
[M+HCOO]- 267.12380 161.8
[M+CH3COO]- 281.13945 188.4
[M+Na-2H]- 243.10027 152.8
[M]+ 222.12505 140.8
[M]- 222.12615 140.8
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.