CID 87239

9-octylheptadecan-9-ol

Structural Information

Molecular Formula
C25H52O
SMILES
CCCCCCCCC(CCCCCCCC)(CCCCCCCC)O
InChI
InChI=1S/C25H52O/c1-4-7-10-13-16-19-22-25(26,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h26H,4-24H2,1-3H3
InChIKey
GIJUBRUJCGBQEM-UHFFFAOYSA-N
Compound name
9-octylheptadecan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

368.40182 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.40910 208.4
[M+Na]+ 391.39104 207.8
[M-H]- 367.39454 203.9
[M+NH4]+ 386.43564 220.5
[M+K]+ 407.36498 202.5
[M+H-H2O]+ 351.39908 201.2
[M+HCOO]- 413.40002 223.0
[M+CH3COO]- 427.41567 223.9
[M+Na-2H]- 389.37649 205.5
[M]+ 368.40127 216.0
[M]- 368.40237 216.0
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