CID 62785741

2413897-08-0

Structural Information

Molecular Formula
C11H23N3
SMILES
CC(C)(C)N1CCN(CC1)C2CNC2
InChI
InChI=1S/C11H23N3/c1-11(2,3)14-6-4-13(5-7-14)10-8-12-9-10/h10,12H,4-9H2,1-3H3
InChIKey
JLBBNRBIONVITP-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)-4-tert-butylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

197.1892 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.196476 150.7
[M+Na]+ 220.178418 153.9
[M-H]- 196.181924 150.5
[M+NH4]+ 215.223023 159.0
[M+K]+ 236.152358 154.4
[M+H-H2O]+ 180.186460 137.5
[M+HCOO]- 242.187401 161.6
[M+CH3COO]- 256.203051 186.4
[M+Na-2H]- 218.163866 153.7
[M]+ 197.18865142 152.4
[M]- 197.18974858 152.4
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