CID 165948779

4-(trifluoromethyl)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H10F3NO2
SMILES
C1CN2CC(C1(C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C8H10F3NO2/c9-8(10,11)7-1-2-12(4-7)3-5(7)6(13)14/h5H,1-4H2,(H,13,14)
InChIKey
OHOKFOAVOXZAAF-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06636 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07364 142.4
[M+Na]+ 232.05558 150.7
[M-H]- 208.05908 139.0
[M+NH4]+ 227.10018 166.2
[M+K]+ 248.02952 148.4
[M+H-H2O]+ 192.06362 136.5
[M+HCOO]- 254.06456 156.1
[M+CH3COO]- 268.08021 181.1
[M+Na-2H]- 230.04103 145.5
[M]+ 209.06581 136.7
[M]- 209.06691 136.7
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

No patent data available for this compound.