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 125.7
[M+Na]+ 148.07328 134.7
[M-H]- 124.07678 127.6
[M+NH4]+ 143.11788 153.8
[M+K]+ 164.04722 133.4
[M+H-H2O]+ 108.08132 121.5
[M+HCOO]- 170.08226 146.9
[M+CH3COO]- 184.09791 170.1
[M+Na-2H]- 146.05873 131.4
[M]+ 125.08351 124.7
[M]- 125.08461 124.7
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