CID 263094

33527-91-2

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

14
References

4206
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

literature stripe

Patent stripe

patents stripe