CID 3018340

2-dodecylhexadecan-1-ol

Structural Information

Molecular Formula
C28H58O
SMILES
CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CO
InChI
InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3
InChIKey
DEMBLPGWNXUBIQ-UHFFFAOYSA-N
Compound name
2-dodecylhexadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1241
Patents

410.44876 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.45604 218.6
[M+Na]+ 433.43798 224.3
[M+NH4]+ 428.48258 222.8
[M+K]+ 449.41192 213.8
[M-H]- 409.44148 217.1
[M+Na-2H]- 431.42343 216.6
[M]+ 410.44821 218.7
[M]- 410.44931 218.7
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