CID 225882

3,9-diethyl-6-tridecanol

Structural Information

Molecular Formula
C17H36O
SMILES
CCCCC(CC)CCC(CCC(CC)CC)O
InChI
InChI=1S/C17H36O/c1-5-9-10-16(8-4)12-14-17(18)13-11-15(6-2)7-3/h15-18H,5-14H2,1-4H3
InChIKey
NWDHHLKROQOLMQ-UHFFFAOYSA-N
Compound name
3,9-diethyltridecan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

352
Patents

256.2766 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.28388 171.1
[M+Na]+ 279.26582 178.5
[M+NH4]+ 274.31042 177.4
[M+K]+ 295.23976 172.1
[M-H]- 255.26932 169.7
[M+Na-2H]- 277.25127 171.2
[M]+ 256.27605 171.5
[M]- 256.27715 171.5
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

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