CID 12305704

Preisocalamendiol

Structural Information

Molecular Formula
C15H24O
SMILES
C/C/1=C/CCC(=C)CC(=O)C(CC1)C(C)C
InChI
InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/b12-6-
InChIKey
QTFJNWQFKJITEE-SDQBBNPISA-N
Compound name
(5Z)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 149.7
[M+Na]+ 243.171928 155.2
[M-H]- 219.175434 150.4
[M+NH4]+ 238.216533 166.2
[M+K]+ 259.145868 153.4
[M+H-H2O]+ 203.179970 147.5
[M+HCOO]- 265.180911 167.4
[M+CH3COO]- 279.196561 189.0
[M+Na-2H]- 241.157376 148.7
[M]+ 220.18216142 143.8
[M]- 220.18325858 143.8
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.