CID 165982789

5-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-one hydrochloride

Structural Information

Molecular Formula
C8H10F3NO
SMILES
C1CN2CCC(C2)(C1=O)C(F)(F)F
InChI
InChI=1S/C8H10F3NO/c9-8(10,11)7-2-4-12(5-7)3-1-6(7)13/h1-5H2
InChIKey
ISRNDBOLQIDLFL-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.07144 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07872 138.5
[M+Na]+ 216.06066 146.8
[M-H]- 192.06416 136.0
[M+NH4]+ 211.10526 162.0
[M+K]+ 232.03460 144.3
[M+H-H2O]+ 176.06870 131.4
[M+HCOO]- 238.06964 152.3
[M+CH3COO]- 252.08529 180.8
[M+Na-2H]- 214.04611 144.2
[M]+ 193.07089 131.6
[M]- 193.07199 131.6
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

No patent data available for this compound.