CID 137949022

4-oxaspiro[2.4]heptan-6-amine

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC12CC(CO2)N
InChI
InChI=1S/C6H11NO/c7-5-3-6(1-2-6)8-4-5/h5H,1-4,7H2
InChIKey
SZEYBIHWBKIRJG-UHFFFAOYSA-N
Compound name
4-oxaspiro[2.4]heptan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

113.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 120.0
[M+Na]+ 136.073278 129.2
[M-H]- 112.076784 127.0
[M+NH4]+ 131.117883 139.9
[M+K]+ 152.047218 129.1
[M+H-H2O]+ 96.081320 115.5
[M+HCOO]- 158.082261 142.6
[M+CH3COO]- 172.097911 171.4
[M+Na-2H]- 134.058726 128.0
[M]+ 113.08351142 119.4
[M]- 113.08460858 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

patents stripe