CID 90477896

Germacrenone

Structural Information

Molecular Formula
C15H26O2
SMILES
CC1CCC(CC/C(=C\CC1=O)/C)C(C)(C)O
InChI
InChI=1S/C15H26O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h6,12-13,17H,5,7-10H2,1-4H3/b11-6-
InChIKey
DWMJDYZSFOSGLA-WDZFZDKYSA-N
Compound name
(3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 154.8
[M+Na]+ 261.18250 160.2
[M-H]- 237.18600 154.2
[M+NH4]+ 256.22710 170.0
[M+K]+ 277.15644 158.6
[M+H-H2O]+ 221.19054 153.2
[M+HCOO]- 283.19148 170.4
[M+CH3COO]- 297.20713 188.8
[M+Na-2H]- 259.16795 155.3
[M]+ 238.19273 149.3
[M]- 238.19383 149.3
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.