CID 53438323

2-oxa-6-azaspiro[3.4]octane

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CNCC12COC2
InChI
InChI=1S/C6H11NO/c1-2-7-3-6(1)4-8-5-6/h7H,1-5H2
InChIKey
ZHAIMJRKJKQNQI-UHFFFAOYSA-N
Compound name
2-oxa-7-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2271
Patents

113.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 116.1
[M+Na]+ 136.073278 121.3
[M-H]- 112.076784 119.4
[M+NH4]+ 131.117883 132.7
[M+K]+ 152.047218 124.0
[M+H-H2O]+ 96.081320 106.9
[M+HCOO]- 158.082261 134.5
[M+CH3COO]- 172.097911 166.0
[M+Na-2H]- 134.058726 124.2
[M]+ 113.08351142 120.1
[M]- 113.08460858 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