CID 8097

1,6-bis(dimethylamino)hexane

Structural Information

Molecular Formula
C10H24N2
SMILES
CN(C)CCCCCCN(C)C
InChI
InChI=1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3
InChIKey
TXXWBTOATXBWDR-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetramethylhexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1395
References

39434
Patents

172.19395 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.20123 145.9
[M+Na]+ 195.18317 150.1
[M-H]- 171.18667 148.4
[M+NH4]+ 190.22777 167.2
[M+K]+ 211.15711 151.6
[M+H-H2O]+ 155.19121 139.5
[M+HCOO]- 217.19215 171.4
[M+CH3COO]- 231.20780 196.2
[M+Na-2H]- 193.16862 149.6
[M]+ 172.19340 149.6
[M]- 172.19450 149.6
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