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

370
Patents

111.06841 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 121.6
[M+Na]+ 134.057628 130.0
[M-H]- 110.061134 123.3
[M+NH4]+ 129.102233 148.2
[M+K]+ 150.031568 129.1
[M+H-H2O]+ 94.065670 116.9
[M+HCOO]- 156.066611 143.1
[M+CH3COO]- 170.082261 167.5
[M+Na-2H]- 132.043076 126.7
[M]+ 111.06786142 120.0
[M]- 111.06895858 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