CID 43272

(2-butynyl)trimethylammonium iodide

Structural Information

Molecular Formula
C7H14N
SMILES
CC#CC[N+](C)(C)C
InChI
InChI=1S/C7H14N/c1-5-6-7-8(2,3)4/h7H2,1-4H3/q+1
InChIKey
CSEFQNIJCZAHTA-UHFFFAOYSA-N
Compound name
but-2-ynyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

112.112625 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.11990 124.2
[M+Na]+ 135.10184 133.6
[M-H]- 111.10535 125.9
[M+NH4]+ 130.14645 145.4
[M+K]+ 151.07578 128.3
[M+H-H2O]+ 95.109885 116.9
[M+HCOO]- 157.11083 142.8
[M+CH3COO]- 171.12648 178.8
[M+Na-2H]- 133.08729 133.3
[M]+ 112.11208 119.0
[M]- 112.11317 119.0
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