CID 11140319

500904-24-5

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 170.4
[M+Na]+ 297.22610 172.0
[M-H]- 273.22960 170.0
[M+NH4]+ 292.27070 185.7
[M+K]+ 313.20004 172.2
[M+H-H2O]+ 257.23414 163.0
[M+HCOO]- 319.23508 193.3
[M+CH3COO]- 333.25073 212.9
[M+Na-2H]- 295.21155 171.5
[M]+ 274.23633 170.9
[M]- 274.23743 170.9
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.