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]+ 300.26454 179.1
[M+Na]+ 322.24648 180.3
[M-H]- 298.24998 177.7
[M+NH4]+ 317.29108 191.1
[M+K]+ 338.22042 178.5
[M+H-H2O]+ 282.25452 170.0
[M+HCOO]- 344.25546 194.0
[M+CH3COO]- 358.27111 208.4
[M+Na-2H]- 320.23193 177.9
[M]+ 299.25671 178.7
[M]- 299.25781 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.