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

27
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 122.9
[M+Na]+ 136.09709 131.9
[M-H]- 112.10059 125.6
[M+NH4]+ 131.14169 144.1
[M+K]+ 152.07103 127.7
[M+H-H2O]+ 96.105130 114.8
[M+HCOO]- 158.10607 143.7
[M+CH3COO]- 172.12172 183.3
[M+Na-2H]- 134.08254 133.0
[M]+ 113.10732 118.2
[M]- 113.10842 118.2
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