CID 87914104

Ethanamine, 2-[2-(dimethylamino)ethoxy]-n-[2-[2-(dimethylamino)ethoxy]ethyl]-

Structural Information

Molecular Formula
C12H29N3O2
SMILES
CN(C)CCOCCNCCOCCN(C)C
InChI
InChI=1S/C12H29N3O2/c1-14(2)7-11-16-9-5-13-6-10-17-12-8-15(3)4/h13H,5-12H2,1-4H3
InChIKey
JOAIGMYRRWFIHL-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

247.22598 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.23326 164.1
[M+Na]+ 270.21520 166.4
[M-H]- 246.21870 166.0
[M+NH4]+ 265.25980 181.8
[M+K]+ 286.18914 168.3
[M+H-H2O]+ 230.22324 156.2
[M+HCOO]- 292.22418 190.4
[M+CH3COO]- 306.23983 211.0
[M+Na-2H]- 268.20065 167.1
[M]+ 247.22543 170.6
[M]- 247.22653 170.6
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

patents stripe