CID 55298903

7-oxa-1-azaspiro[4.4]nonan-6-one hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CC2(CCOC2=O)NC1
InChI
InChI=1S/C7H11NO2/c9-6-7(3-5-10-6)2-1-4-8-7/h8H,1-5H2
InChIKey
QCNFPWDMQHAJKE-UHFFFAOYSA-N
Compound name
7-oxa-1-azaspiro[4.4]nonan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

141.07898 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 128.9
[M+Na]+ 164.068198 135.6
[M-H]- 140.071704 132.1
[M+NH4]+ 159.112803 152.4
[M+K]+ 180.042138 135.1
[M+H-H2O]+ 124.076240 123.9
[M+HCOO]- 186.077181 148.1
[M+CH3COO]- 200.092831 165.9
[M+Na-2H]- 162.053646 133.6
[M]+ 141.07843142 123.7
[M]- 141.07952858 123.7
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