CID 52420939

1820746-53-9

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1C[C@@H](C[C@](C1)(C(F)(F)F)O)N
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-1-2-5(11)4-6/h5,12H,1-4,11H2/t5-,6+/m0/s1
InChIKey
IJUVZQHBPFIBHU-NTSWFWBYSA-N
Compound name
(1R,3S)-3-amino-1-(trifluoromethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.0871 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09438 136.1
[M+Na]+ 206.07632 142.5
[M-H]- 182.07982 133.7
[M+NH4]+ 201.12092 156.7
[M+K]+ 222.05026 140.3
[M+H-H2O]+ 166.08436 129.6
[M+HCOO]- 228.08530 151.3
[M+CH3COO]- 242.10095 178.6
[M+Na-2H]- 204.06177 140.5
[M]+ 183.08655 125.2
[M]- 183.08765 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe