CID 50989723

1421602-78-9

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CC(CCC1N)(C(F)(F)F)O
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-1-5(11)2-4-6/h5,12H,1-4,11H2
InChIKey
XQZKKRXYSBWMAL-UHFFFAOYSA-N
Compound name
4-amino-1-(trifluoromethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

183.0871 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.094376 136.1
[M+Na]+ 206.076318 142.5
[M-H]- 182.079824 133.7
[M+NH4]+ 201.120923 156.7
[M+K]+ 222.050258 140.3
[M+H-H2O]+ 166.084360 129.6
[M+HCOO]- 228.085301 151.3
[M+CH3COO]- 242.100951 178.6
[M+Na-2H]- 204.061766 140.5
[M]+ 183.08655142 125.2
[M]- 183.08764858 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