CID 212431

24269-69-0

Structural Information

Molecular Formula
C14H29N3O2
SMILES
CC(C)CNCCN1CCN(CC1)C(=O)OC(C)C
InChI
InChI=1S/C14H29N3O2/c1-12(2)11-15-5-6-16-7-9-17(10-8-16)14(18)19-13(3)4/h12-13,15H,5-11H2,1-4H3
InChIKey
JFHUERNCALMDQW-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-(2-methylpropylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.22598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.23326 168.7
[M+Na]+ 294.21520 175.5
[M+NH4]+ 289.25980 173.9
[M+K]+ 310.18914 171.4
[M-H]- 270.21870 167.9
[M+Na-2H]- 292.20065 169.8
[M]+ 271.22543 168.9
[M]- 271.22653 168.9
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.