CID 10855407

1-azabicyclo[2.2.1]heptan-3-one

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CN2CC1C(=O)C2
InChI
InChI=1S/C6H9NO/c8-6-4-7-2-1-5(6)3-7/h5H,1-4H2
InChIKey
VZPRMKOCTSUHCR-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.1]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

364
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 121.6
[M+Na]+ 134.05763 130.0
[M-H]- 110.06113 123.3
[M+NH4]+ 129.10223 148.2
[M+K]+ 150.03157 129.1
[M+H-H2O]+ 94.065670 116.9
[M+HCOO]- 156.06661 143.1
[M+CH3COO]- 170.08226 167.5
[M+Na-2H]- 132.04308 126.7
[M]+ 111.06786 120.0
[M]- 111.06896 120.0
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