CID 178199965

3017242-72-4

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1C2(CC1(NC2)C(F)(F)F)CO
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)6-1-5(2-6,4-12)3-11-6/h11-12H,1-4H2
InChIKey
PZCXOSNOLHWIHE-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.07144 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.078716 148.1
[M+Na]+ 204.060658 155.7
[M-H]- 180.064164 142.4
[M+NH4]+ 199.105263 170.0
[M+K]+ 220.034598 154.6
[M+H-H2O]+ 164.068700 140.3
[M+HCOO]- 226.069641 158.6
[M+CH3COO]- 240.085291 179.2
[M+Na-2H]- 202.046106 155.7
[M]+ 181.07089142 154.5
[M]- 181.07198858 154.5
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.