CID 14645883

Piperazinium, 1-cyclopentylidene-4-(ethoxycarbonyl)-, tetrafluoroborate(1-)

Structural Information

Molecular Formula
C12H21N2O2
SMILES
CCOC(=O)N1CC[N+](=C2CCCC2)CC1
InChI
InChI=1S/C12H21N2O2/c1-2-16-12(15)14-9-7-13(8-10-14)11-5-3-4-6-11/h2-10H2,1H3/q+1
InChIKey
LSQFLLXOCBLNDB-UHFFFAOYSA-N
Compound name
ethyl 4-cyclopentylidenepiperazin-4-ium-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

225.16031 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.16759 156.6
[M+Na]+ 248.14953 159.9
[M-H]- 224.15303 159.3
[M+NH4]+ 243.19413 173.0
[M+K]+ 264.12347 152.6
[M+H-H2O]+ 208.15757 150.9
[M+HCOO]- 270.15851 172.0
[M+CH3COO]- 284.17416 178.5
[M+Na-2H]- 246.13498 158.4
[M]+ 225.15976 149.1
[M]- 225.16086 149.1
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

patents stripe