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]+ 280.214516 170.2
[M+Na]+ 302.196458 174.9
[M-H]- 278.199964 173.4
[M+NH4]+ 297.241063 185.3
[M+K]+ 318.170398 166.7
[M+H-H2O]+ 262.204500 164.7
[M+HCOO]- 324.205441 183.6
[M+CH3COO]- 338.221091 192.4
[M+Na-2H]- 300.181906 172.5
[M]+ 279.20669142 164.6
[M]- 279.20778858 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.