CID 76509

1,1,4,7,10,10-hexamethyltriethylenetetramine

Structural Information

Molecular Formula
C12H30N4
SMILES
CN(C)CCN(C)CCN(C)CCN(C)C
InChI
InChI=1S/C12H30N4/c1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4/h7-12H2,1-6H3
InChIKey
DWFKOMDBEKIATP-UHFFFAOYSA-N
Compound name
N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N,N,N'-trimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

4789
Patents

230.24704 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.25432 164.3
[M+Na]+ 253.23626 166.2
[M-H]- 229.23976 169.2
[M+NH4]+ 248.28086 183.6
[M+K]+ 269.21020 170.0
[M+H-H2O]+ 213.24430 155.9
[M+HCOO]- 275.24524 191.9
[M+CH3COO]- 289.26089 219.1
[M+Na-2H]- 251.22171 165.7
[M]+ 230.24649 169.6
[M]- 230.24759 169.6
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.