CID 577126

20483-36-7

Structural Information

Molecular Formula
C13H20O
SMILES
CC1=C(C(CC=C1)(C)C)CCC(=O)C
InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3
InChIKey
SQFRYZPEWOZAKJ-UHFFFAOYSA-N
Compound name
4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

106
Patents

192.15141 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 145.2
[M+Na]+ 215.14063 157.7
[M+NH4]+ 210.18523 155.4
[M+K]+ 231.11457 148.9
[M-H]- 191.14413 147.6
[M+Na-2H]- 213.12608 152.4
[M]+ 192.15086 147.9
[M]- 192.15196 147.9
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