CID 16217938

4-boc-1-(6-methyl-2-pyridyl)piperazine

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CC1=NC(=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H23N3O2/c1-12-6-5-7-13(16-12)17-8-10-18(11-9-17)14(19)20-15(2,3)4/h5-7H,8-11H2,1-4H3
InChIKey
QEDVZUFNZJJSJL-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-methylpyridin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

277.17902 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.18630 169.0
[M+Na]+ 300.16824 174.6
[M-H]- 276.17174 171.0
[M+NH4]+ 295.21284 181.0
[M+K]+ 316.14218 172.0
[M+H-H2O]+ 260.17628 159.7
[M+HCOO]- 322.17722 182.7
[M+CH3COO]- 336.19287 199.0
[M+Na-2H]- 298.15369 171.8
[M]+ 277.17847 167.3
[M]- 277.17957 167.3
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