CID 9815427

6-octen-3-one, 2,4,4,7-tetramethyl-

Structural Information

Molecular Formula
C12H22O
SMILES
CC(C)C(=O)C(C)(C)CC=C(C)C
InChI
InChI=1S/C12H22O/c1-9(2)7-8-12(5,6)11(13)10(3)4/h7,10H,8H2,1-6H3
InChIKey
CTLDWNVYXLHMAS-UHFFFAOYSA-N
Compound name
2,4,4,7-tetramethyloct-6-en-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2803
Patents

182.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 144.8
[M+Na]+ 205.156288 150.2
[M-H]- 181.159794 144.8
[M+NH4]+ 200.200893 165.1
[M+K]+ 221.130228 149.5
[M+H-H2O]+ 165.164330 140.7
[M+HCOO]- 227.165271 162.9
[M+CH3COO]- 241.180921 187.7
[M+Na-2H]- 203.141736 146.0
[M]+ 182.16652142 146.0
[M]- 182.16761858 146.0
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