CID 23392621

1653-94-7

Structural Information

Molecular Formula
C11H20O
SMILES
CC(C)(C)C=CC(=O)C(C)(C)C
InChI
InChI=1S/C11H20O/c1-10(2,3)8-7-9(12)11(4,5)6/h7-8H,1-6H3
InChIKey
JRTSXIAOCFBBPE-UHFFFAOYSA-N
Compound name
2,2,6,6-tetramethylhept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

168.15141 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 139.7
[M+Na]+ 191.14063 146.6
[M-H]- 167.14413 140.3
[M+NH4]+ 186.18523 161.1
[M+K]+ 207.11457 145.8
[M+H-H2O]+ 151.14867 136.4
[M+HCOO]- 213.14961 158.7
[M+CH3COO]- 227.16526 182.0
[M+Na-2H]- 189.12608 144.8
[M]+ 168.15086 141.3
[M]- 168.15196 141.3
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

patents stripe