CID 126838259

4-amino-8-oxa-2-azaspiro[4.5]decan-3-one

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C1COCCC12CNC(=O)C2N
InChI
InChI=1S/C8H14N2O2/c9-6-7(11)10-5-8(6)1-3-12-4-2-8/h6H,1-5,9H2,(H,10,11)
InChIKey
AMZZFACXEUCGTI-UHFFFAOYSA-N
Compound name
4-amino-8-oxa-2-azaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.10553 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.112806 136.2
[M+Na]+ 193.094748 141.7
[M-H]- 169.098254 138.7
[M+NH4]+ 188.139353 156.5
[M+K]+ 209.068688 140.3
[M+H-H2O]+ 153.102790 130.4
[M+HCOO]- 215.103731 153.3
[M+CH3COO]- 229.119381 174.2
[M+Na-2H]- 191.080196 140.7
[M]+ 170.10498142 127.9
[M]- 170.10607858 127.9
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

patents stripe