CID 86775476

7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC2(C1)CC(OC2=O)CN
InChI
InChI=1S/C8H13NO2/c9-5-6-4-8(2-1-3-8)7(10)11-6/h6H,1-5,9H2
InChIKey
XKPOXTRNTBPGGS-UHFFFAOYSA-N
Compound name
7-(aminomethyl)-6-oxaspiro[3.4]octan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 127.0
[M+Na]+ 178.083858 132.5
[M-H]- 154.087364 132.9
[M+NH4]+ 173.128463 143.7
[M+K]+ 194.057798 135.1
[M+H-H2O]+ 138.091900 118.1
[M+HCOO]- 200.092841 147.9
[M+CH3COO]- 214.108491 179.1
[M+Na-2H]- 176.069306 132.7
[M]+ 155.09409142 132.6
[M]- 155.09518858 132.6
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

No patent data available for this compound.