CID 93875

2-decyl-1-tetradecanol

Structural Information

Molecular Formula
C24H50O
SMILES
CCCCCCCCCCCCC(CCCCCCCCCC)CO
InChI
InChI=1S/C24H50O/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3
InChIKey
CAYHVMBQBLYQMT-UHFFFAOYSA-N
Compound name
2-decyltetradecan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6741
Patents

354.38617 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.393446 204.6
[M+Na]+ 377.375388 203.6
[M-H]- 353.378894 200.0
[M+NH4]+ 372.419993 217.1
[M+K]+ 393.349328 198.7
[M+H-H2O]+ 337.383430 197.0
[M+HCOO]- 399.384371 220.1
[M+CH3COO]- 413.400021 221.3
[M+Na-2H]- 375.360836 200.2
[M]+ 354.38562142 211.5
[M]- 354.38671858 211.5
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