CID 103607

Alpha-ionyl acetate

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1=CCCC(C1C=CC(C)OC(=O)C)(C)C
InChI
InChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h7-9,12,14H,6,10H2,1-5H3
InChIKey
WHHAWKIPTSGTNC-UHFFFAOYSA-N
Compound name
4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

236.17763 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 158.2
[M+Na]+ 259.16685 168.6
[M+NH4]+ 254.21145 167.0
[M+K]+ 275.14079 160.7
[M-H]- 235.17035 159.3
[M+Na-2H]- 257.15230 163.0
[M]+ 236.17708 160.0
[M]- 236.17818 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe