CID 66934567

3-cyclooctene-1-methanol, alpha-ethyl-

Structural Information

Molecular Formula
C11H20O
SMILES
CCC(C1CCCC/C=C\C1)O
InChI
InChI=1S/C11H20O/c1-2-11(12)10-8-6-4-3-5-7-9-10/h4,6,10-12H,2-3,5,7-9H2,1H3/b6-4-
InChIKey
LLYJRIQMURUPPF-XQRVVYSFSA-N
Compound name
1-[(3Z)-cyclooct-3-en-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

80
Patents

168.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 145.7
[M+Na]+ 191.14063 149.2
[M-H]- 167.14413 146.6
[M+NH4]+ 186.18523 154.6
[M+K]+ 207.11457 149.6
[M+H-H2O]+ 151.14867 142.4
[M+HCOO]- 213.14961 154.0
[M+CH3COO]- 227.16526 220.0
[M+Na-2H]- 189.12608 145.7
[M]+ 168.15086 143.7
[M]- 168.15196 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe