CID 5371122

6-methyl-.alpha.-(e)-ionone

Structural Information

Molecular Formula
C14H22O
SMILES
CC1=CCCC(C1(C)/C=C/C(=O)C)(C)C
InChI
InChI=1S/C14H22O/c1-11-7-6-9-13(3,4)14(11,5)10-8-12(2)15/h7-8,10H,6,9H2,1-5H3/b10-8+
InChIKey
MOLZHSROFREFLG-CSKARUKUSA-N
Compound name
(E)-4-(1,2,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 145.3
[M+Na]+ 229.156288 152.8
[M-H]- 205.159794 149.1
[M+NH4]+ 224.200893 168.9
[M+K]+ 245.130228 150.6
[M+H-H2O]+ 189.164330 141.7
[M+HCOO]- 251.165271 165.1
[M+CH3COO]- 265.180921 189.2
[M+Na-2H]- 227.141736 149.1
[M]+ 206.16652142 145.1
[M]- 206.16761858 145.1
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

No patent data available for this compound.