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]+ 126.091336 125.7
[M+Na]+ 148.073278 134.7
[M-H]- 124.076784 127.6
[M+NH4]+ 143.117883 153.8
[M+K]+ 164.047218 133.4
[M+H-H2O]+ 108.081320 121.5
[M+HCOO]- 170.082261 146.9
[M+CH3COO]- 184.097911 170.1
[M+Na-2H]- 146.058726 131.4
[M]+ 125.08351142 124.7
[M]- 125.08460858 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