CID 84031629

1782254-06-1

Structural Information

Molecular Formula
C13H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCCNC
InChI
InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)16-10-8-15(9-11-16)7-5-6-14-4/h14H,5-11H2,1-4H3
InChIKey
TVKPKVDBBMSCEX-UHFFFAOYSA-N
Compound name
tert-butyl 4-[3-(methylamino)propyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

257.21033 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.21761 166.1
[M+Na]+ 280.19955 169.4
[M-H]- 256.20305 165.7
[M+NH4]+ 275.24415 180.2
[M+K]+ 296.17349 168.3
[M+H-H2O]+ 240.20759 158.3
[M+HCOO]- 302.20853 181.5
[M+CH3COO]- 316.22418 198.3
[M+Na-2H]- 278.18500 168.5
[M]+ 257.20978 164.7
[M]- 257.21088 164.7
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

patents stripe