CID 22568124

N1-(3-aminopropyl)-n1-(3-(dimethylamino)propyl)-n3,n3-dimethylpropane-1,3-diamine

Structural Information

Molecular Formula
C13H32N4
SMILES
CN(C)CCCN(CCCN)CCCN(C)C
InChI
InChI=1S/C13H32N4/c1-15(2)9-6-12-17(11-5-8-14)13-7-10-16(3)4/h5-14H2,1-4H3
InChIKey
FHXCMYHMMXQRBX-UHFFFAOYSA-N
Compound name
N',N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

244.2627 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.26998 168.0
[M+Na]+ 267.25192 169.3
[M-H]- 243.25542 170.6
[M+NH4]+ 262.29652 185.9
[M+K]+ 283.22586 171.1
[M+H-H2O]+ 227.25996 159.6
[M+HCOO]- 289.26090 194.2
[M+CH3COO]- 303.27655 217.8
[M+Na-2H]- 265.23737 168.6
[M]+ 244.26215 171.3
[M]- 244.26325 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