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]+ 279.20671 168.6
[M+Na]+ 301.18865 173.4
[M-H]- 277.19215 171.4
[M+NH4]+ 296.23325 184.0
[M+K]+ 317.16259 170.6
[M+H-H2O]+ 261.19669 160.4
[M+HCOO]- 323.19763 182.3
[M+CH3COO]- 337.21328 200.1
[M+Na-2H]- 299.17410 168.6
[M]+ 278.19888 164.5
[M]- 278.19998 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.