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]+ 218.165176 159.7
[M+Na]+ 240.147118 166.6
[M-H]- 216.150624 164.6
[M+NH4]+ 235.191723 168.8
[M+K]+ 256.121058 162.1
[M+H-H2O]+ 200.155160 149.1
[M+HCOO]- 262.156101 176.9
[M+CH3COO]- 276.171751 169.4
[M+Na-2H]- 238.132566 164.0
[M]+ 217.15735142 156.7
[M]- 217.15844858 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