CID 53911925

6-octen-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC=CCCCCCO
InChI
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h2-3,9H,4-8H2,1H3
InChIKey
SHPVOXFREBUEHB-UHFFFAOYSA-N
Compound name
oct-6-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

128.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 130.4
[M+Na]+ 151.10934 136.7
[M-H]- 127.11284 129.0
[M+NH4]+ 146.15394 152.1
[M+K]+ 167.08328 135.1
[M+H-H2O]+ 111.11738 126.1
[M+HCOO]- 173.11832 152.5
[M+CH3COO]- 187.13397 171.0
[M+Na-2H]- 149.09479 136.0
[M]+ 128.11957 131.2
[M]- 128.12067 131.2
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