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]+ 232.18083 151.3
[M+Na]+ 254.16277 154.6
[M-H]- 230.16627 154.8
[M+NH4]+ 249.20737 158.1
[M+K]+ 270.13671 153.9
[M+H-H2O]+ 214.17081 135.6
[M+HCOO]- 276.17175 165.7
[M+CH3COO]- 290.18740 160.5
[M+Na-2H]- 252.14822 155.4
[M]+ 231.17300 153.7
[M]- 231.17410 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