CID 182020

Artemone

Structural Information

Molecular Formula
C15H24O2
SMILES
C[C@@H](C1CC[C@](O1)(C)C=C)C(=O)C(C)(C)C=C
InChI
InChI=1S/C15H24O2/c1-7-14(4,5)13(16)11(3)12-9-10-15(6,8-2)17-12/h7-8,11-12H,1-2,9-10H2,3-6H3/t11-,12?,15-/m0/s1
InChIKey
GJHJZCGMDGIUKC-BQELKBSMSA-N
Compound name
(2S)-2-[(5R)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

236.17763 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 156.1
[M+Na]+ 259.16685 161.6
[M-H]- 235.17035 159.7
[M+NH4]+ 254.21145 176.5
[M+K]+ 275.14079 160.5
[M+H-H2O]+ 219.17489 152.6
[M+HCOO]- 281.17583 173.1
[M+CH3COO]- 295.19148 194.3
[M+Na-2H]- 257.15230 157.5
[M]+ 236.17708 156.5
[M]- 236.17818 156.5
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