CID 573489

4-methylenecyclohexanone

Structural Information

Molecular Formula
C7H10O
SMILES
C=C1CCC(=O)CC1
InChI
InChI=1S/C7H10O/c1-6-2-4-7(8)5-3-6/h1-5H2
InChIKey
SDJWUMGNEHCWOH-UHFFFAOYSA-N
Compound name
4-methylidenecyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

110.073166 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 122.0
[M+Na]+ 133.06238 133.7
[M+NH4]+ 128.10699 131.3
[M+K]+ 149.03632 127.1
[M-H]- 109.06589 124.1
[M+Na-2H]- 131.04783 127.7
[M]+ 110.07262 124.1
[M]- 110.07371 124.1
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