CID 82598420

3-(oxan-4-yl)morpholine

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1COCCC1C2COCCN2
InChI
InChI=1S/C9H17NO2/c1-4-11-5-2-8(1)9-7-12-6-3-10-9/h8-10H,1-7H2
InChIKey
IBIZDOPRLFKJHM-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.1
[M+Na]+ 194.11515 141.3
[M-H]- 170.11865 142.4
[M+NH4]+ 189.15975 153.8
[M+K]+ 210.08909 141.8
[M+H-H2O]+ 154.12319 131.6
[M+HCOO]- 216.12413 152.2
[M+CH3COO]- 230.13978 149.5
[M+Na-2H]- 192.10060 144.8
[M]+ 171.12538 130.5
[M]- 171.12648 130.5
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.