CID 85708970

5-oxa-6-azaspiro[2.4]heptane hydrochloride

Structural Information

Molecular Formula
C5H9NO
SMILES
C1CC12CNOC2
InChI
InChI=1S/C5H9NO/c1-2-5(1)3-6-7-4-5/h6H,1-4H2
InChIKey
JGKSDWOZVQWSLG-UHFFFAOYSA-N
Compound name
5-oxa-6-azaspiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

99.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 120.6
[M+Na]+ 122.05763 129.8
[M-H]- 98.061134 125.1
[M+NH4]+ 117.10223 139.3
[M+K]+ 138.03157 129.6
[M+H-H2O]+ 82.065670 115.3
[M+HCOO]- 144.06661 140.5
[M+CH3COO]- 158.08226 134.5
[M+Na-2H]- 120.04308 129.3
[M]+ 99.067861 119.6
[M]- 99.068959 119.6
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