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

6
Patents

263.1634 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 165.2
[M+Na]+ 286.15262 169.8
[M-H]- 262.15612 165.5
[M+NH4]+ 281.19722 176.7
[M+K]+ 302.12656 166.5
[M+H-H2O]+ 246.16066 156.1
[M+HCOO]- 308.16160 177.7
[M+CH3COO]- 322.17725 192.3
[M+Na-2H]- 284.13807 168.7
[M]+ 263.16285 160.8
[M]- 263.16395 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