CID 3084636

36755-25-6

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CCOC(=O)N1CCN(CC1)C2=CC(=C)CC(C2)(C)C
InChI
InChI=1S/C16H26N2O2/c1-5-20-15(19)18-8-6-17(7-9-18)14-10-13(2)11-16(3,4)12-14/h10H,2,5-9,11-12H2,1,3-4H3
InChIKey
LSKACLFHWDDPEI-UHFFFAOYSA-N
Compound name
ethyl 4-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.206706 168.6
[M+Na]+ 301.188648 173.4
[M-H]- 277.192154 171.4
[M+NH4]+ 296.233253 184.0
[M+K]+ 317.162588 170.6
[M+H-H2O]+ 261.196690 160.4
[M+HCOO]- 323.197631 182.3
[M+CH3COO]- 337.213281 200.1
[M+Na-2H]- 299.174096 168.6
[M]+ 278.19888142 164.5
[M]- 278.19997858 164.5
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.