CID 573489

4-methylidenecyclohexan-1-one

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

256
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 119.9
[M+Na]+ 133.06238 126.6
[M-H]- 109.06589 123.3
[M+NH4]+ 128.10699 142.8
[M+K]+ 149.03632 125.4
[M+H-H2O]+ 93.070426 115.3
[M+HCOO]- 155.07137 141.5
[M+CH3COO]- 169.08702 167.7
[M+Na-2H]- 131.04783 125.7
[M]+ 110.07262 115.3
[M]- 110.07371 115.3
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