CID 18187432

947533-98-4

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1COC2(O1)CNC2
InChI
InChI=1S/C5H9NO2/c1-2-8-5(7-1)3-6-4-5/h6H,1-4H2
InChIKey
FZBVNPRKYAHVCA-UHFFFAOYSA-N
Compound name
5,8-dioxa-2-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

115.06333 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 112.0
[M+Na]+ 138.05255 117.4
[M-H]- 114.05605 116.0
[M+NH4]+ 133.09715 127.2
[M+K]+ 154.02649 121.9
[M+H-H2O]+ 98.060590 103.1
[M+HCOO]- 160.06153 129.9
[M+CH3COO]- 174.07718 165.2
[M+Na-2H]- 136.03800 121.7
[M]+ 115.06278 117.6
[M]- 115.06388 117.6
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