CID 212453

24269-81-6

Structural Information

Molecular Formula
C16H33N3O2
SMILES
CCCCNCCN1CCN(CC1)C(=O)OCCC(C)C
InChI
InChI=1S/C16H33N3O2/c1-4-5-7-17-8-9-18-10-12-19(13-11-18)16(20)21-14-6-15(2)3/h15,17H,4-14H2,1-3H3
InChIKey
CVUYZPLKWCBJEV-UHFFFAOYSA-N
Compound name
3-methylbutyl 4-[2-(butylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.25726 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.264536 179.1
[M+Na]+ 322.246478 180.3
[M-H]- 298.249984 177.7
[M+NH4]+ 317.291083 191.1
[M+K]+ 338.220418 178.5
[M+H-H2O]+ 282.254520 170.0
[M+HCOO]- 344.255461 194.0
[M+CH3COO]- 358.271111 208.4
[M+Na-2H]- 320.231926 177.9
[M]+ 299.25671142 178.7
[M]- 299.25780858 178.7
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.