CID 492218

1,7-heptanediamine, n,n'-bis(3-aminopropyl)-

Structural Information

Molecular Formula
C13H32N4
SMILES
C(CCCNCCCN)CCCNCCCN
InChI
InChI=1S/C13H32N4/c14-8-6-12-16-10-4-2-1-3-5-11-17-13-7-9-15/h16-17H,1-15H2
InChIKey
SPMJPPVCVHLSGJ-UHFFFAOYSA-N
Compound name
N,N'-bis(3-aminopropyl)heptane-1,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

55
Patents

244.2627 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.26998 161.4
[M+Na]+ 267.25192 162.2
[M-H]- 243.25542 159.0
[M+NH4]+ 262.29652 177.0
[M+K]+ 283.22586 159.6
[M+H-H2O]+ 227.25996 153.6
[M+HCOO]- 289.26090 185.6
[M+CH3COO]- 303.27655 207.1
[M+Na-2H]- 265.23737 163.9
[M]+ 244.26215 160.0
[M]- 244.26325 160.0
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