CID 5365664

[(4z)-cyclooct-4-en-1-yl]methanol

Structural Information

Molecular Formula
C9H16O
SMILES
C1C/C=C\CCC(C1)CO
InChI
InChI=1S/C9H16O/c10-8-9-6-4-2-1-3-5-7-9/h1-2,9-10H,3-8H2/b2-1-
InChIKey
UOZVYEMGCKZCNC-UPHRSURJSA-N
Compound name
[(4Z)-cyclooct-4-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

140.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 139.9
[M+Na]+ 163.10934 144.0
[M-H]- 139.11284 141.0
[M+NH4]+ 158.15394 149.4
[M+K]+ 179.08328 144.4
[M+H-H2O]+ 123.11738 136.8
[M+HCOO]- 185.11832 149.1
[M+CH3COO]- 199.13397 217.0
[M+Na-2H]- 161.09479 141.1
[M]+ 140.11957 138.0
[M]- 140.12067 138.0
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