CID 72210356

Tert-butyl 3-(pyridin-2-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=CC=CC=N2
InChI
InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-9-8-16-12(10-17)11-6-4-5-7-15-11/h4-7,12,16H,8-10H2,1-3H3
InChIKey
BPWOXCWPHVVITM-UHFFFAOYSA-N
Compound name
tert-butyl 3-pyridin-2-ylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

263.1634 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe