CID 5367523

(2z)-cyclooct-2-en-1-one

Structural Information

Molecular Formula
C8H12O
SMILES
C1CC/C=C\C(=O)CC1
InChI
InChI=1S/C8H12O/c9-8-6-4-2-1-3-5-7-8/h4,6H,1-3,5,7H2/b6-4-
InChIKey
NSHQAIKRVDXIMX-XQRVVYSFSA-N
Compound name
(2Z)-cyclooct-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

124.08881 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 137.5
[M+Na]+ 147.07803 142.1
[M-H]- 123.08153 139.3
[M+NH4]+ 142.12263 147.5
[M+K]+ 163.05197 142.8
[M+H-H2O]+ 107.08607 134.4
[M+HCOO]- 169.08701 147.5
[M+CH3COO]- 183.10266 216.5
[M+Na-2H]- 145.06348 139.2
[M]+ 124.08826 136.0
[M]- 124.08936 136.0
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