CID 8924

Bis(hexamethylene)triamine

Structural Information

Molecular Formula
C12H29N3
SMILES
C(CCCNCCCCCCN)CCN
InChI
InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
InChIKey
MRNZSTMRDWRNNR-UHFFFAOYSA-N
Compound name
N'-(6-aminohexyl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

16143
Patents

215.23615 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.24343 155.9
[M+Na]+ 238.22537 157.9
[M-H]- 214.22887 153.7
[M+NH4]+ 233.26997 173.1
[M+K]+ 254.19931 155.4
[M+H-H2O]+ 198.23341 148.8
[M+HCOO]- 260.23435 179.4
[M+CH3COO]- 274.25000 198.9
[M+Na-2H]- 236.21082 158.4
[M]+ 215.23560 154.9
[M]- 215.23670 154.9
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

No patent data available for this compound.