CID 55279768

5-oxa-2-azaspiro[3.4]octane hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC2(CNC2)OC1
InChI
InChI=1S/C6H11NO/c1-2-6(8-3-1)4-7-5-6/h7H,1-5H2
InChIKey
NRPURYORSRHBCU-UHFFFAOYSA-N
Compound name
5-oxa-2-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

420
Patents

113.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 116.1
[M+Na]+ 136.07328 121.3
[M-H]- 112.07678 119.4
[M+NH4]+ 131.11788 132.7
[M+K]+ 152.04722 124.0
[M+H-H2O]+ 96.081320 106.9
[M+HCOO]- 158.08226 134.5
[M+CH3COO]- 172.09791 166.0
[M+Na-2H]- 134.05873 124.2
[M]+ 113.08351 120.1
[M]- 113.08461 120.1
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

patents stripe