CID 117835

N,n'-bis(3-aminopropyl)hexane-1,6-diamine

Structural Information

Molecular Formula
C12H30N4
SMILES
C(CCCNCCCN)CCNCCCN
InChI
InChI=1S/C12H30N4/c13-7-5-11-15-9-3-1-2-4-10-16-12-6-8-14/h15-16H,1-14H2
InChIKey
WOVJRSMTQMZAJS-UHFFFAOYSA-N
Compound name
N,N'-bis(3-aminopropyl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

486
Patents

230.24704 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.254316 157.2
[M+Na]+ 253.236258 158.4
[M-H]- 229.239764 155.0
[M+NH4]+ 248.280863 173.4
[M+K]+ 269.210198 156.0
[M+H-H2O]+ 213.244300 149.5
[M+HCOO]- 275.245241 181.7
[M+CH3COO]- 289.260891 204.1
[M+Na-2H]- 251.221706 160.1
[M]+ 230.24649142 155.4
[M]- 230.24758858 155.4
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