CID 165947346

1-(trifluoromethyl)-2-azabicyclo[2.2.1]heptane hydrochloride

Structural Information

Molecular Formula
C7H10F3N
SMILES
C1CC2(CC1CN2)C(F)(F)F
InChI
InChI=1S/C7H10F3N/c8-7(9,10)6-2-1-5(3-6)4-11-6/h5,11H,1-4H2
InChIKey
OLENGHRJEKDNNN-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)-2-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07654 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08382 133.2
[M+Na]+ 188.06576 141.3
[M-H]- 164.06926 129.6
[M+NH4]+ 183.11036 158.8
[M+K]+ 204.03970 138.4
[M+H-H2O]+ 148.07380 126.8
[M+HCOO]- 210.07474 147.8
[M+CH3COO]- 224.09039 173.1
[M+Na-2H]- 186.05121 138.1
[M]+ 165.07599 125.3
[M]- 165.07709 125.3
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.