CID 199241

2-(4-(dimethylamino)-2-butynyl)cyclopentanone hydrochloride

Structural Information

Molecular Formula
C11H17NO
SMILES
CN(C)CC#CCC1CCCC1=O
InChI
InChI=1S/C11H17NO/c1-12(2)9-4-3-6-10-7-5-8-11(10)13/h10H,5-9H2,1-2H3
InChIKey
LGOIPKIAGNMXRK-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)but-2-ynyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 142.8
[M+Na]+ 202.12023 151.7
[M+NH4]+ 197.16483 147.4
[M+K]+ 218.09417 144.3
[M-H]- 178.12373 136.4
[M+Na-2H]- 200.10568 143.8
[M]+ 179.13046 141.2
[M]- 179.13156 141.2
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.