CID 15027970

4-methyl-1-azabicyclo[2.2.1]heptan-3-one hydrochloride

Structural Information

Molecular Formula
C7H11NO
SMILES
CC12CCN(C1)CC2=O
InChI
InChI=1S/C7H11NO/c1-7-2-3-8(5-7)4-6(7)9/h2-5H2,1H3
InChIKey
CHEIGWVMTKPOCC-UHFFFAOYSA-N
Compound name
4-methyl-1-azabicyclo[2.2.1]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

125.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 126.4
[M+Na]+ 148.07328 135.7
[M+NH4]+ 143.11788 137.3
[M+K]+ 164.04722 131.7
[M-H]- 124.07678 126.2
[M+Na-2H]- 146.05873 129.8
[M]+ 125.08351 127.5
[M]- 125.08461 127.5
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