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 142.4
[M+Na]+ 202.12023 150.6
[M-H]- 178.12373 145.3
[M+NH4]+ 197.16483 162.3
[M+K]+ 218.09417 147.5
[M+H-H2O]+ 162.12827 130.5
[M+HCOO]- 224.12921 160.4
[M+CH3COO]- 238.14486 193.5
[M+Na-2H]- 200.10568 143.8
[M]+ 179.13046 136.4
[M]- 179.13156 136.4
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.