CID 199239

1-(4-pyrrolidin-1'-ylbut-2-yn-1-yl)cyclopentan-2-one hydrochloride

Structural Information

Molecular Formula
C13H19NO
SMILES
C1CCN(C1)CC#CCC2CCCC2=O
InChI
InChI=1S/C13H19NO/c15-13-8-5-7-12(13)6-1-2-9-14-10-3-4-11-14/h12H,3-11H2
InChIKey
ISVPQCSOMQLIMD-UHFFFAOYSA-N
Compound name
2-(4-pyrrolidin-1-ylbut-2-ynyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 149.4
[M+Na]+ 228.13589 157.1
[M-H]- 204.13939 151.6
[M+NH4]+ 223.18049 167.9
[M+K]+ 244.10983 151.3
[M+H-H2O]+ 188.14393 136.0
[M+HCOO]- 250.14487 163.6
[M+CH3COO]- 264.16052 190.8
[M+Na-2H]- 226.12134 148.0
[M]+ 205.14612 140.0
[M]- 205.14722 140.0
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.