CID 95337

2-hexyl-1-decanol

Structural Information

Molecular Formula
C16H34O
SMILES
CCCCCCCCC(CCCCCC)CO
InChI
InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3
InChIKey
XULHFMYCBKQGEE-UHFFFAOYSA-N
Compound name
2-hexyldecan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

20395
Patents

242.26097 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.268246 169.1
[M+Na]+ 265.250188 171.5
[M-H]- 241.253694 166.1
[M+NH4]+ 260.294793 186.2
[M+K]+ 281.224128 168.6
[M+H-H2O]+ 225.258230 163.0
[M+HCOO]- 287.259171 187.3
[M+CH3COO]- 301.274821 197.5
[M+Na-2H]- 263.235636 168.9
[M]+ 242.26042142 173.0
[M]- 242.26151858 173.0
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