CID 93773

2-(dimethylamino)-3,5,5-trimethylcyclohex-2-en-1-one

Structural Information

Molecular Formula
C11H19NO
SMILES
CC1=C(C(=O)CC(C1)(C)C)N(C)C
InChI
InChI=1S/C11H19NO/c1-8-6-11(2,3)7-9(13)10(8)12(4)5/h6-7H2,1-5H3
InChIKey
WEDSJFGQPPOZNR-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-3,5,5-trimethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 138.1
[M+Na]+ 204.135888 146.0
[M-H]- 180.139394 143.6
[M+NH4]+ 199.180493 161.3
[M+K]+ 220.109828 145.7
[M+H-H2O]+ 164.143930 133.5
[M+HCOO]- 226.144871 161.1
[M+CH3COO]- 240.160521 190.6
[M+Na-2H]- 202.121336 142.2
[M]+ 181.14612142 138.7
[M]- 181.14721858 138.7
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

No patent data available for this compound.