CID 4990080

Tert-butyl 3-(pyridin-3-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=CN=CC=C2
InChI
InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-8-7-16-12(10-17)11-5-4-6-15-9-11/h4-6,9,12,16H,7-8,10H2,1-3H3
InChIKey
YTZNVXDPMKDFHB-UHFFFAOYSA-N
Compound name
tert-butyl 3-pyridin-3-ylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

263.1634 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.170676 165.2
[M+Na]+ 286.152618 169.8
[M-H]- 262.156124 165.5
[M+NH4]+ 281.197223 176.7
[M+K]+ 302.126558 166.5
[M+H-H2O]+ 246.160660 156.1
[M+HCOO]- 308.161601 177.7
[M+CH3COO]- 322.177251 192.3
[M+Na-2H]- 284.138066 168.7
[M]+ 263.16285142 160.8
[M]- 263.16394858 160.8
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