CID 3065819

108993-56-2

Structural Information

Molecular Formula
C11H19N2O2
SMILES
CCOC(=O)N1CC[N+](CC1)(C)CC#C
InChI
InChI=1S/C11H19N2O2/c1-4-8-13(3)9-6-12(7-10-13)11(14)15-5-2/h1H,5-10H2,2-3H3/q+1
InChIKey
VKFOVYSKTIDEFD-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.14465 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.15193 144.3
[M+Na]+ 234.13387 152.3
[M-H]- 210.13737 143.4
[M+NH4]+ 229.17847 160.2
[M+K]+ 250.10781 144.3
[M+H-H2O]+ 194.14191 134.2
[M+HCOO]- 256.14285 155.5
[M+CH3COO]- 270.15850 187.1
[M+Na-2H]- 232.11932 149.5
[M]+ 211.14410 136.2
[M]- 211.14520 136.2
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.