CID 199237

(4-dimethylcarbamoyloxybut-2-ynyl)trimethylammonium iodide

Structural Information

Molecular Formula
C10H19N2O2
SMILES
CN(C)C(=O)OCC#CC[N+](C)(C)C
InChI
InChI=1S/C10H19N2O2/c1-11(2)10(13)14-9-7-6-8-12(3,4)5/h8-9H2,1-5H3/q+1
InChIKey
GPEGVDXLSBQFPZ-UHFFFAOYSA-N
Compound name
4-(dimethylcarbamoyloxy)but-2-ynyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.14465 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.15193 146.8
[M+Na]+ 222.13387 154.2
[M-H]- 198.13737 149.0
[M+NH4]+ 217.17847 164.8
[M+K]+ 238.10781 150.2
[M+H-H2O]+ 182.14191 137.8
[M+HCOO]- 244.14285 165.3
[M+CH3COO]- 258.15850 195.4
[M+Na-2H]- 220.11932 152.6
[M]+ 199.14410 143.7
[M]- 199.14520 143.7
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

No patent data available for this compound.