CID 6450832

Vitispirane

Structural Information

Molecular Formula
C13H20O
SMILES
CC1CCC2(O1)C(=C)C=CCC2(C)C
InChI
InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3
InChIKey
DUPDJVDPPBFBPL-UHFFFAOYSA-N
Compound name
2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

751
References

32
Patents

192.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 141.9
[M+Na]+ 215.14063 149.7
[M-H]- 191.14413 148.3
[M+NH4]+ 210.18523 166.7
[M+K]+ 231.11457 148.1
[M+H-H2O]+ 175.14867 137.8
[M+HCOO]- 237.14961 161.1
[M+CH3COO]- 251.16526 183.4
[M+Na-2H]- 213.12608 146.6
[M]+ 192.15086 139.2
[M]- 192.15196 139.2
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