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]+ 156.10192 133.6
[M+Na]+ 178.08386 137.8
[M+NH4]+ 173.12846 139.3
[M+K]+ 194.05780 135.2
[M-H]- 154.08736 133.9
[M+Na-2H]- 176.06931 135.7
[M]+ 155.09409 132.9
[M]- 155.09519 132.9
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.