CID 16205268

72102-88-6

Structural Information

Molecular Formula
C16H27N2O2
SMILES
CCOC(=O)N1CC[N+](=C2CC(CC(=C2)C)(C)C)CC1
InChI
InChI=1S/C16H27N2O2/c1-5-20-15(19)18-8-6-17(7-9-18)14-10-13(2)11-16(3,4)12-14/h10H,5-9,11-12H2,1-4H3/q+1
InChIKey
IRAFCXIDWFDYQQ-UHFFFAOYSA-N
Compound name
ethyl 4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)piperazin-4-ium-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.20724 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.21452 170.2
[M+Na]+ 302.19646 174.9
[M-H]- 278.19996 173.4
[M+NH4]+ 297.24106 185.3
[M+K]+ 318.17040 166.7
[M+H-H2O]+ 262.20450 164.7
[M+HCOO]- 324.20544 183.6
[M+CH3COO]- 338.22109 192.4
[M+Na-2H]- 300.18191 172.5
[M]+ 279.20669 164.6
[M]- 279.20779 164.6
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.