CID 13711391

1-(2-pyridyl)-4-cyclopropylmethylpiperazine monooxalate

Structural Information

Molecular Formula
C13H19N3
SMILES
C1CC1CN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C13H19N3/c1-2-6-14-13(3-1)16-9-7-15(8-10-16)11-12-4-5-12/h1-3,6,12H,4-5,7-11H2
InChIKey
MZIHDPQIVTWURA-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

217.1579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.16518 159.7
[M+Na]+ 240.14712 166.6
[M-H]- 216.15062 164.6
[M+NH4]+ 235.19172 168.8
[M+K]+ 256.12106 162.1
[M+H-H2O]+ 200.15516 149.1
[M+HCOO]- 262.15610 176.9
[M+CH3COO]- 276.17175 169.4
[M+Na-2H]- 238.13257 164.0
[M]+ 217.15735 156.7
[M]- 217.15845 156.7
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