CID 122156634

5-oxaspiro[3.4]octan-7-amine

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC2(C1)CC(CO2)N
InChI
InChI=1S/C7H13NO/c8-6-4-7(9-5-6)2-1-3-7/h6H,1-5,8H2
InChIKey
FOBOXLVXXYQTAK-UHFFFAOYSA-N
Compound name
5-oxaspiro[3.4]octan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 126.0
[M+Na]+ 150.08894 130.6
[M+NH4]+ 145.13354 132.8
[M+K]+ 166.06288 127.7
[M-H]- 126.09244 127.1
[M+Na-2H]- 148.07439 129.2
[M]+ 127.09917 125.7
[M]- 127.10027 125.7
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