CID 6365348

Eicosen-1-ol

Structural Information

Molecular Formula
C20H40O
SMILES
CCCCCCCCCCCCCCCCCC/C=C/O
InChI
InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h19-21H,2-18H2,1H3/b20-19+
InChIKey
ACJQRYKUUGFHPV-FMQUCBEESA-N
Compound name
(E)-icos-1-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

425
Patents

296.30792 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.315196 184.4
[M+Na]+ 319.297138 185.8
[M-H]- 295.300644 180.7
[M+NH4]+ 314.341743 199.4
[M+K]+ 335.271078 180.8
[M+H-H2O]+ 279.305180 177.6
[M+HCOO]- 341.306121 202.5
[M+CH3COO]- 355.321771 207.2
[M+Na-2H]- 317.282586 183.5
[M]+ 296.30737142 189.8
[M]- 296.30846858 189.8
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