CID 55278963

1-azaspiro[3.4]octane

Structural Information

Molecular Formula
C7H13N
SMILES
C1CCC2(C1)CCN2
InChI
InChI=1S/C7H13N/c1-2-4-7(3-1)5-6-8-7/h8H,1-6H2
InChIKey
DFAKAYKNPJMQSX-UHFFFAOYSA-N
Compound name
1-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

546
Patents

111.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 120.7
[M+Na]+ 134.094018 125.6
[M-H]- 110.097524 123.3
[M+NH4]+ 129.138623 138.7
[M+K]+ 150.067958 126.6
[M+H-H2O]+ 94.102060 111.2
[M+HCOO]- 156.103001 139.4
[M+CH3COO]- 170.118651 167.2
[M+Na-2H]- 132.079466 127.2
[M]+ 111.10425142 123.0
[M]- 111.10534858 123.0
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