CID 118456

N,n-bis[3-(dimethylamino)propyl]-n',n'-dimethylpropane-1,3-diamine

Structural Information

Molecular Formula
C15H36N4
SMILES
CN(C)CCCN(CCCN(C)C)CCCN(C)C
InChI
InChI=1S/C15H36N4/c1-16(2)10-7-13-19(14-8-11-17(3)4)15-9-12-18(5)6/h7-15H2,1-6H3
InChIKey
DTKANQSCBACEPK-UHFFFAOYSA-N
Compound name
N',N'-bis[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2026
Patents

272.294 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.301276 178.1
[M+Na]+ 295.283218 178.8
[M-H]- 271.286724 182.4
[M+NH4]+ 290.327823 195.8
[M+K]+ 311.257158 181.8
[M+H-H2O]+ 255.291260 169.2
[M+HCOO]- 317.292201 204.8
[M+CH3COO]- 331.307851 228.0
[M+Na-2H]- 293.268666 177.9
[M]+ 272.29345142 184.6
[M]- 272.29454858 184.6
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