CID 137944708

2287331-48-8

Structural Information

Molecular Formula
C8H12F3NO
SMILES
C1C2CC(C1CC2(C(F)(F)F)O)N
InChI
InChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-4-1-5(7)2-6(4)12/h4-6,13H,1-3,12H2
InChIKey
NSQNBORDMFAKDL-UHFFFAOYSA-N
Compound name
5-amino-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0871 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09438 138.6
[M+Na]+ 218.07632 147.0
[M-H]- 194.07982 136.2
[M+NH4]+ 213.12092 164.1
[M+K]+ 234.05026 143.8
[M+H-H2O]+ 178.08436 133.6
[M+HCOO]- 240.08530 154.5
[M+CH3COO]- 254.10095 181.9
[M+Na-2H]- 216.06177 141.9
[M]+ 195.08655 130.9
[M]- 195.08765 130.9
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.