CID 21149704

(2-((2-cyanoethyl)methylamino)ethyl)trimethylammonium iodide

Structural Information

Molecular Formula
C9H20N3
SMILES
CN(CCC#N)CC[N+](C)(C)C
InChI
InChI=1S/C9H20N3/c1-11(7-5-6-10)8-9-12(2,3)4/h5,7-9H2,1-4H3/q+1
InChIKey
GUXJOWXZGCPNRY-UHFFFAOYSA-N
Compound name
2-[2-cyanoethyl(methyl)amino]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.16573 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17301 139.0
[M+Na]+ 193.15495 146.0
[M-H]- 169.15845 142.2
[M+NH4]+ 188.19955 158.2
[M+K]+ 209.12889 142.4
[M+H-H2O]+ 153.16299 129.6
[M+HCOO]- 215.16393 160.1
[M+CH3COO]- 229.17958 198.9
[M+Na-2H]- 191.14040 147.0
[M]+ 170.16518 135.5
[M]- 170.16628 135.5
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.