CID 39182

N,n,n-trimethyl-2-cyanoethylammonium iodide

Structural Information

Molecular Formula
C6H13N2
SMILES
C[N+](C)(C)CCC#N
InChI
InChI=1S/C6H13N2/c1-8(2,3)6-4-5-7/h4,6H2,1-3H3/q+1
InChIKey
WRNRZCGUEOYOJV-UHFFFAOYSA-N
Compound name
2-cyanoethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

113.10787 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.11515 123.2
[M+Na]+ 136.09709 135.1
[M+NH4]+ 131.14169 129.6
[M+K]+ 152.07103 127.2
[M-H]- 112.10059 118.5
[M+Na-2H]- 134.08254 127.2
[M]+ 113.10732 123.1
[M]- 113.10842 123.1
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