CID 67160

1,3-propanediamine, n1,n3-dimethyl-n1,n3-bis[3-(methylamino)propyl]-

Structural Information

Molecular Formula
C13H32N4
SMILES
CNCCCN(C)CCCN(C)CCCNC
InChI
InChI=1S/C13H32N4/c1-14-8-5-10-16(3)12-7-13-17(4)11-6-9-15-2/h14-15H,5-13H2,1-4H3
InChIKey
XRTKMBBIDHUQNP-UHFFFAOYSA-N
Compound name
N,N'-dimethyl-N'-[3-[methyl-[3-(methylamino)propyl]amino]propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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 166.4
[M+Na]+ 267.25192 167.5
[M-H]- 243.25542 168.1
[M+NH4]+ 262.29652 183.9
[M+K]+ 283.22586 168.3
[M+H-H2O]+ 227.25996 158.2
[M+HCOO]- 289.26090 192.8
[M+CH3COO]- 303.27655 215.0
[M+Na-2H]- 265.23737 169.0
[M]+ 244.26215 169.5
[M]- 244.26325 169.5
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