CID 5200320

120811-32-7

Structural Information

Molecular Formula
C5H11NO
SMILES
C1CC(COC1)N
InChI
InChI=1S/C5H11NO/c6-5-2-1-3-7-4-5/h5H,1-4,6H2
InChIKey
WUUOEJJGRCQGBQ-UHFFFAOYSA-N
Compound name
oxan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1534
Patents

101.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 119.1
[M+Na]+ 124.07328 129.5
[M+NH4]+ 119.11788 128.5
[M+K]+ 140.04722 124.3
[M-H]- 100.07678 123.0
[M+Na-2H]- 122.05873 124.5
[M]+ 101.08351 121.5
[M]- 101.08461 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe