CID 10820489

1-azaspiro[3.3]heptan-2-one

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC2(C1)CC(=O)N2
InChI
InChI=1S/C6H9NO/c8-5-4-6(7-5)2-1-3-6/h1-4H2,(H,7,8)
InChIKey
CTMVADOISWHDEP-UHFFFAOYSA-N
Compound name
1-azaspiro[3.3]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

111.06841 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 114.4
[M+Na]+ 134.05763 119.8
[M-H]- 110.06113 117.6
[M+NH4]+ 129.10223 124.0
[M+K]+ 150.03157 123.8
[M+H-H2O]+ 94.065670 101.7
[M+HCOO]- 156.06661 131.7
[M+CH3COO]- 170.08226 178.8
[M+Na-2H]- 132.04308 122.0
[M]+ 111.06786 127.2
[M]- 111.06896 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe