CID 129968448

5-oxaspiro[2.4]heptan-7-amine

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC12COCC2N
InChI
InChI=1S/C6H11NO/c7-5-3-8-4-6(5)1-2-6/h5H,1-4,7H2
InChIKey
CLKUQWHDPKBXLN-UHFFFAOYSA-N
Compound name
5-oxaspiro[2.4]heptan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 120.0
[M+Na]+ 136.07328 129.2
[M-H]- 112.07678 127.0
[M+NH4]+ 131.11788 139.9
[M+K]+ 152.04722 129.1
[M+H-H2O]+ 96.081320 115.5
[M+HCOO]- 158.08226 142.6
[M+CH3COO]- 172.09791 171.4
[M+Na-2H]- 134.05873 128.0
[M]+ 113.08351 119.4
[M]- 113.08461 119.4
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.