CID 81739995

Tert-butyl n-(3-{[3-(dimethylamino)propyl]amino}propyl)carbamate

Structural Information

Molecular Formula
C13H29N3O2
SMILES
CC(C)(C)OC(=O)NCCCNCCCN(C)C
InChI
InChI=1S/C13H29N3O2/c1-13(2,3)18-12(17)15-10-6-8-14-9-7-11-16(4)5/h14H,6-11H2,1-5H3,(H,15,17)
InChIKey
YMOBVTBPKSDKPC-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[3-(dimethylamino)propylamino]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.22598 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.233256 167.8
[M+Na]+ 282.215198 170.3
[M-H]- 258.218704 168.6
[M+NH4]+ 277.259803 184.7
[M+K]+ 298.189138 171.0
[M+H-H2O]+ 242.223240 160.9
[M+HCOO]- 304.224181 191.0
[M+CH3COO]- 318.239831 208.8
[M+Na-2H]- 280.200646 170.6
[M]+ 259.22543142 171.3
[M]- 259.22652858 171.3
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