CID 61057

2,6,8-trimethyl-4-nonanone

Structural Information

Molecular Formula
C12H24O
SMILES
CC(C)CC(C)CC(=O)CC(C)C
InChI
InChI=1S/C12H24O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-11H,6-8H2,1-5H3
InChIKey
GFWVDQCGGDBTBS-UHFFFAOYSA-N
Compound name
2,6,8-trimethylnonan-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

830
Patents

184.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.18999 148.4
[M+Na]+ 207.17193 152.7
[M-H]- 183.17543 148.1
[M+NH4]+ 202.21653 168.4
[M+K]+ 223.14587 152.6
[M+H-H2O]+ 167.17997 143.5
[M+HCOO]- 229.18091 166.8
[M+CH3COO]- 243.19656 189.9
[M+Na-2H]- 205.15738 147.4
[M]+ 184.18216 150.2
[M]- 184.18326 150.2
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