CID 137928663

2260932-91-8

Structural Information

Molecular Formula
C8H12F3N
SMILES
C1CC2(CCC1(C2)C(F)(F)F)N
InChI
InChI=1S/C8H12F3N/c9-8(10,11)6-1-3-7(12,5-6)4-2-6/h1-5,12H2
InChIKey
JNRWBJQAIZLHMZ-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)bicyclo[2.2.1]heptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09218 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.09946 135.9
[M+Na]+ 202.08140 144.1
[M-H]- 178.08490 134.6
[M+NH4]+ 197.12600 164.2
[M+K]+ 218.05534 141.2
[M+H-H2O]+ 162.08944 130.6
[M+HCOO]- 224.09038 153.2
[M+CH3COO]- 238.10603 180.0
[M+Na-2H]- 200.06685 141.6
[M]+ 179.09163 128.2
[M]- 179.09273 128.2
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.