CID 56962189

6-oxaspiro[3.4]octan-2-amine

Structural Information

Molecular Formula
C7H13NO
SMILES
C1COCC12CC(C2)N
InChI
InChI=1S/C7H13NO/c8-6-3-7(4-6)1-2-9-5-7/h6H,1-5,8H2
InChIKey
RZAVDURPAHGGQM-UHFFFAOYSA-N
Compound name
6-oxaspiro[3.4]octan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

127.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 120.7
[M+Na]+ 150.088938 125.7
[M-H]- 126.092444 126.4
[M+NH4]+ 145.133543 138.4
[M+K]+ 166.062878 128.6
[M+H-H2O]+ 110.096980 111.8
[M+HCOO]- 172.097921 141.7
[M+CH3COO]- 186.113571 173.9
[M+Na-2H]- 148.074386 127.5
[M]+ 127.09917142 124.9
[M]- 127.10026858 124.9
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