CID 4453621

120239-63-6

Structural Information

Molecular Formula
C16H40N6
SMILES
C(CCN(CCCN)CCCN)CN(CCCN)CCCN
InChI
InChI=1S/C16H40N6/c17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20/h1-20H2
InChIKey
LYBWJVKFJAIODE-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

2115
Patents

316.33145 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.33873 180.6
[M+Na]+ 339.32067 178.9
[M-H]- 315.32417 179.6
[M+NH4]+ 334.36527 193.3
[M+K]+ 355.29461 178.2
[M+H-H2O]+ 299.32871 170.8
[M+HCOO]- 361.32965 205.5
[M+CH3COO]- 375.34530 232.0
[M+Na-2H]- 337.30612 178.7
[M]+ 316.33090 179.2
[M]- 316.33200 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe