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]+ 260.23326 167.8
[M+Na]+ 282.21520 170.3
[M-H]- 258.21870 168.6
[M+NH4]+ 277.25980 184.7
[M+K]+ 298.18914 171.0
[M+H-H2O]+ 242.22324 160.9
[M+HCOO]- 304.22418 191.0
[M+CH3COO]- 318.23983 208.8
[M+Na-2H]- 280.20065 170.6
[M]+ 259.22543 171.3
[M]- 259.22653 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