CID 19812

Trimethyl(4-(2-oxocyclopentyl)but-2-ynyl)ammonium iodide

Structural Information

Molecular Formula
C12H20NO
SMILES
C[N+](C)(C)CC#CCC1CCCC1=O
InChI
InChI=1S/C12H20NO/c1-13(2,3)10-5-4-7-11-8-6-9-12(11)14/h11H,6-10H2,1-3H3/q+1
InChIKey
HFMAUZUNCIFQFL-UHFFFAOYSA-N
Compound name
trimethyl-[4-(2-oxocyclopentyl)but-2-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1545 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.16178 149.0
[M+Na]+ 217.14372 157.3
[M-H]- 193.14722 152.3
[M+NH4]+ 212.18832 168.5
[M+K]+ 233.11766 149.0
[M+H-H2O]+ 177.15176 140.2
[M+HCOO]- 239.15270 165.8
[M+CH3COO]- 253.16835 189.7
[M+Na-2H]- 215.12917 153.6
[M]+ 194.15395 141.9
[M]- 194.15505 141.9
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.