CID 54594720

1803606-71-4

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CC(CCC1O)(C(F)(F)F)N
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6(11)3-1-5(12)2-4-6/h5,12H,1-4,11H2
InChIKey
KQKIDMRQJDABPF-UHFFFAOYSA-N
Compound name
4-amino-4-(trifluoromethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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

No literature data available for this compound.

Patent stripe

patents stripe