CID 212437

24269-72-5

Structural Information

Molecular Formula
C15H31N3O2
SMILES
CC(C)CCNCCN1CCN(CC1)C(=O)OC(C)C
InChI
InChI=1S/C15H31N3O2/c1-13(2)5-6-16-7-8-17-9-11-18(12-10-17)15(19)20-14(3)4/h13-14,16H,5-12H2,1-4H3
InChIKey
JONKHUVKOVVSIR-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-(3-methylbutylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.24164 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.24892 174.8
[M+Na]+ 308.23086 176.3
[M-H]- 284.23436 173.8
[M+NH4]+ 303.27546 187.4
[M+K]+ 324.20480 175.2
[M+H-H2O]+ 268.23890 166.1
[M+HCOO]- 330.23984 189.1
[M+CH3COO]- 344.25549 206.3
[M+Na-2H]- 306.21631 173.0
[M]+ 285.24109 173.4
[M]- 285.24219 173.4
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

No patent data available for this compound.