CID 62328457

3-(oxan-4-yloxy)pyrrolidine

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CNCC1OC2CCOCC2
InChI
InChI=1S/C9H17NO2/c1-4-10-7-9(1)12-8-2-5-11-6-3-8/h8-10H,1-7H2
InChIKey
FQMACVOLTJCARN-UHFFFAOYSA-N
Compound name
3-(oxan-4-yloxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 138.5
[M+Na]+ 194.11515 141.4
[M-H]- 170.11865 141.4
[M+NH4]+ 189.15975 156.4
[M+K]+ 210.08909 141.1
[M+H-H2O]+ 154.12319 131.5
[M+HCOO]- 216.12413 154.7
[M+CH3COO]- 230.13978 172.8
[M+Na-2H]- 192.10060 141.9
[M]+ 171.12538 131.4
[M]- 171.12648 131.4
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.