CID 23854

2-propynyltrimethylammonium iodide

Structural Information

Molecular Formula
C6H12N
SMILES
C[N+](C)(C)CC#C
InChI
InChI=1S/C6H12N/c1-5-6-7(2,3)4/h1H,6H2,2-4H3/q+1
InChIKey
LGGJEZQSZBHNBE-UHFFFAOYSA-N
Compound name
trimethyl(prop-2-ynyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

98.09698 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.104256 118.4
[M+Na]+ 121.08620 131.1
[M+NH4]+ 116.13080 125.0
[M+K]+ 137.06014 123.1
[M-H]- 97.089704 113.1
[M+Na-2H]- 119.07165 122.4
[M]+ 98.096431 118.3
[M]- 98.097529 118.3
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