CID 9870397

1-eicosanol, 2-tetradecyl-

Structural Information

Molecular Formula
C34H70O
SMILES
CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO
InChI
InChI=1S/C34H70O/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34(33-35)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h34-35H,3-33H2,1-2H3
InChIKey
HVTNWJPMARCVBP-UHFFFAOYSA-N
Compound name
2-tetradecylicosan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

350
Patents

494.54266 Da
Monoisotopic Mass

16.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.54994 246.9
[M+Na]+ 517.53188 252.2
[M-H]- 493.53538 226.8
[M+NH4]+ 512.57648 242.7
[M+K]+ 533.50582 234.3
[M+H-H2O]+ 477.53992 237.4
[M+HCOO]- 539.54086 252.8
[M+CH3COO]- 553.55651 250.1
[M+Na-2H]- 515.51733 237.4
[M]+ 494.54211 247.6
[M]- 494.54321 247.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe