CID 83203

7-octen-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2607
Patents

128.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 130.2
[M+Na]+ 151.10934 136.4
[M-H]- 127.11284 128.7
[M+NH4]+ 146.15394 151.8
[M+K]+ 167.08328 134.7
[M+H-H2O]+ 111.11738 125.8
[M+HCOO]- 173.11832 152.3
[M+CH3COO]- 187.13397 171.7
[M+Na-2H]- 149.09479 135.8
[M]+ 128.11957 131.1
[M]- 128.12067 131.1
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