CID 69155859

1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one

Structural Information

Molecular Formula
C11H19NO
SMILES
CN(C)C=CC(=O)C1CCCCC1
InChI
InChI=1S/C11H19NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
InChIKey
PPDVDNFZPYRBJB-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(dimethylamino)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

181.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 143.6
[M+Na]+ 204.135888 146.7
[M-H]- 180.139394 147.3
[M+NH4]+ 199.180493 163.5
[M+K]+ 220.109828 146.1
[M+H-H2O]+ 164.143930 137.3
[M+HCOO]- 226.144871 164.3
[M+CH3COO]- 240.160521 187.3
[M+Na-2H]- 202.121336 146.0
[M]+ 181.14612142 139.7
[M]- 181.14721858 139.7
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