CID 11140319

Tert-butyl n-{2-[bis(3-aminopropyl)amino]ethyl}carbamate

Structural Information

Molecular Formula
C13H30N4O2
SMILES
CC(C)(C)OC(=O)NCCN(CCCN)CCCN
InChI
InChI=1S/C13H30N4O2/c1-13(2,3)19-12(18)16-8-11-17(9-4-6-14)10-5-7-15/h4-11,14-15H2,1-3H3,(H,16,18)
InChIKey
JNWREYGNBOOQOZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[bis(3-aminopropyl)amino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.23688 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.24416 169.6
[M+Na]+ 297.22610 172.6
[M+NH4]+ 292.27070 173.8
[M+K]+ 313.20004 169.7
[M-H]- 273.22960 168.6
[M+Na-2H]- 295.21155 169.4
[M]+ 274.23633 169.0
[M]- 274.23743 169.0
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.