CID 15232793

1,17-heptadecanediol

Structural Information

Molecular Formula
C17H36O2
SMILES
C(CCCCCCCCO)CCCCCCCCO
InChI
InChI=1S/C17H36O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h18-19H,1-17H2
InChIKey
WNZVVHVYAKZZBU-UHFFFAOYSA-N
Compound name
heptadecane-1,17-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

921
Patents

272.27155 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.27883 175.8
[M+Na]+ 295.26077 177.5
[M-H]- 271.26427 171.0
[M+NH4]+ 290.30537 190.9
[M+K]+ 311.23471 173.5
[M+H-H2O]+ 255.26881 169.4
[M+HCOO]- 317.26975 193.4
[M+CH3COO]- 331.28540 199.0
[M+Na-2H]- 293.24622 175.9
[M]+ 272.27100 180.3
[M]- 272.27210 180.3
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