CID 178199965

[1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methanol hydrochloride

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]+ 182.07872 148.1
[M+Na]+ 204.06066 155.7
[M-H]- 180.06416 142.4
[M+NH4]+ 199.10526 170.0
[M+K]+ 220.03460 154.6
[M+H-H2O]+ 164.06870 140.3
[M+HCOO]- 226.06964 158.6
[M+CH3COO]- 240.08529 179.2
[M+Na-2H]- 202.04611 155.7
[M]+ 181.07089 154.5
[M]- 181.07199 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.