CID 13711392

Piperazine, 1-(cyclobutylmethyl)-4-(2-pyridinyl)-, ethanedioate (2:3)

Structural Information

Molecular Formula
C14H21N3
SMILES
C1CC(C1)CN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C14H21N3/c1-2-7-15-14(6-1)17-10-8-16(9-11-17)12-13-4-3-5-13/h1-2,6-7,13H,3-5,8-12H2
InChIKey
SSLPFZBRMQFYPN-UHFFFAOYSA-N
Compound name
1-(cyclobutylmethyl)-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.17355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.180826 151.3
[M+Na]+ 254.162768 154.6
[M-H]- 230.166274 154.8
[M+NH4]+ 249.207373 158.1
[M+K]+ 270.136708 153.9
[M+H-H2O]+ 214.170810 135.6
[M+HCOO]- 276.171751 165.7
[M+CH3COO]- 290.187401 160.5
[M+Na-2H]- 252.148216 155.4
[M]+ 231.17300142 153.7
[M]- 231.17409858 153.7
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