CID 169366

5,8-diethyl-7-hydroxydodecan-6-one

Structural Information

Molecular Formula
C16H32O2
SMILES
CCCCC(CC)C(C(=O)C(CC)CCCC)O
InChI
InChI=1S/C16H32O2/c1-5-9-11-13(7-3)15(17)16(18)14(8-4)12-10-6-2/h13-15,17H,5-12H2,1-4H3
InChIKey
RCEAKQYSPGVKEX-UHFFFAOYSA-N
Compound name
5,8-diethyl-7-hydroxydodecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

256.24023 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.24751 168.7
[M+Na]+ 279.22945 175.4
[M+NH4]+ 274.27405 174.1
[M+K]+ 295.20339 170.6
[M-H]- 255.23295 166.3
[M+Na-2H]- 277.21490 168.1
[M]+ 256.23968 168.5
[M]- 256.24078 168.5
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