CID 203000

2-(3-pyridylmethyl)cyclopentanone

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CC(C(=O)C1)CC2=CN=CC=C2
InChI
InChI=1S/C11H13NO/c13-11-5-1-4-10(11)7-9-3-2-6-12-8-9/h2-3,6,8,10H,1,4-5,7H2
InChIKey
LCTZYWVQPZZJMG-UHFFFAOYSA-N
Compound name
2-(pyridin-3-ylmethyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 137.4
[M+Na]+ 198.088938 144.4
[M-H]- 174.092444 142.5
[M+NH4]+ 193.133543 157.8
[M+K]+ 214.062878 141.7
[M+H-H2O]+ 158.096980 130.2
[M+HCOO]- 220.097921 159.9
[M+CH3COO]- 234.113571 178.5
[M+Na-2H]- 196.074386 141.8
[M]+ 175.09917142 135.0
[M]- 175.10026858 135.0
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.