CID 23111887

2-oxa-6-azaspiro[3.3]heptane

Structural Information

Molecular Formula
C5H9NO
SMILES
C1C2(CN1)COC2
InChI
InChI=1S/C5H9NO/c1-5(2-6-1)3-7-4-5/h6H,1-4H2
InChIKey
HPJALMWOZYIZGE-UHFFFAOYSA-N
Compound name
2-oxa-6-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7480
Patents

99.06841 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 106.9
[M+Na]+ 122.057628 111.5
[M-H]- 98.061134 110.5
[M+NH4]+ 117.102233 115.6
[M+K]+ 138.031568 117.4
[M+H-H2O]+ 82.065670 94.2
[M+HCOO]- 144.066611 123.6
[M+CH3COO]- 158.082261 175.9
[M+Na-2H]- 120.043076 116.9
[M]+ 99.06786142 120.2
[M]- 99.06895858 120.2
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