CID 16320

4-decanol

Structural Information

Molecular Formula
C10H22O
SMILES
CCCCCCC(CCC)O
InChI
InChI=1S/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3
InChIKey
DTDMYWXTWWFLGJ-UHFFFAOYSA-N
Compound name
decan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8302
Patents

158.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.174346 141.6
[M+Na]+ 181.156288 146.6
[M-H]- 157.159794 139.9
[M+NH4]+ 176.200893 162.1
[M+K]+ 197.130228 145.3
[M+H-H2O]+ 141.164330 136.8
[M+HCOO]- 203.165271 161.8
[M+CH3COO]- 217.180921 179.5
[M+Na-2H]- 179.141736 144.8
[M]+ 158.16652142 143.3
[M]- 158.16761858 143.3
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