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

5
Patents

181.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.15395 143.6
[M+Na]+ 204.13589 146.7
[M-H]- 180.13939 147.3
[M+NH4]+ 199.18049 163.5
[M+K]+ 220.10983 146.1
[M+H-H2O]+ 164.14393 137.3
[M+HCOO]- 226.14487 164.3
[M+CH3COO]- 240.16052 187.3
[M+Na-2H]- 202.12134 146.0
[M]+ 181.14612 139.7
[M]- 181.14722 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