CID 81148237

2-(oxan-2-yl)pyrrolidine

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CCOC(C1)C2CCCN2
InChI
InChI=1S/C9H17NO/c1-2-7-11-9(5-1)8-4-3-6-10-8/h8-10H,1-7H2
InChIKey
VQKCNDOOWJFENH-UHFFFAOYSA-N
Compound name
2-(oxan-2-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

155.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 136.7
[M+Na]+ 178.12023 146.2
[M+NH4]+ 173.16483 145.7
[M+K]+ 194.09417 142.2
[M-H]- 154.12373 140.5
[M+Na-2H]- 176.10568 141.2
[M]+ 155.13046 138.9
[M]- 155.13156 138.9
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

patents stripe