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]+ 272.233256 170.4
[M+Na]+ 294.215198 172.3
[M-H]- 270.218704 169.6
[M+NH4]+ 289.259803 183.5
[M+K]+ 310.189138 171.5
[M+H-H2O]+ 254.223240 161.9
[M+HCOO]- 316.224181 185.0
[M+CH3COO]- 330.239831 203.4
[M+Na-2H]- 292.200646 169.0
[M]+ 271.22543142 168.6
[M]- 271.22652858 168.6
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.