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

50
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 119.8
[M+Na]+ 121.08620 129.5
[M-H]- 97.089704 121.6
[M+NH4]+ 116.13080 141.4
[M+K]+ 137.06014 124.4
[M+H-H2O]+ 81.094240 112.6
[M+HCOO]- 143.09518 138.6
[M+CH3COO]- 157.11083 176.7
[M+Na-2H]- 119.07165 129.4
[M]+ 98.096431 114.3
[M]- 98.097529 114.3
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