CID 5364519

Cis-3-octen-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CCCC/C=C\CCO
InChI
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5-
InChIKey
YDXQPTHHAPCTPP-WAYWQWQTSA-N
Compound name
(Z)-oct-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

5581
Patents

128.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 130.4
[M+Na]+ 151.109338 136.7
[M-H]- 127.112844 129.0
[M+NH4]+ 146.153943 152.1
[M+K]+ 167.083278 135.1
[M+H-H2O]+ 111.117380 126.1
[M+HCOO]- 173.118321 152.5
[M+CH3COO]- 187.133971 171.0
[M+Na-2H]- 149.094786 136.0
[M]+ 128.11957142 131.2
[M]- 128.12066858 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