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

516
Patents

111.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 120.7
[M+Na]+ 134.09402 125.6
[M-H]- 110.09752 123.3
[M+NH4]+ 129.13862 138.7
[M+K]+ 150.06796 126.6
[M+H-H2O]+ 94.102060 111.2
[M+HCOO]- 156.10300 139.4
[M+CH3COO]- 170.11865 167.2
[M+Na-2H]- 132.07947 127.2
[M]+ 111.10425 123.0
[M]- 111.10535 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