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]+ 180.138286 142.4
[M+Na]+ 202.120228 150.6
[M-H]- 178.123734 145.3
[M+NH4]+ 197.164833 162.3
[M+K]+ 218.094168 147.5
[M+H-H2O]+ 162.128270 130.5
[M+HCOO]- 224.129211 160.4
[M+CH3COO]- 238.144861 193.5
[M+Na-2H]- 200.105676 143.8
[M]+ 179.13046142 136.4
[M]- 179.13155858 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.