CID 47003620

2551115-80-9

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1C2CNCC1C2(C(F)(F)F)O
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)6(12)4-1-5(6)3-11-2-4/h4-5,11-12H,1-3H2
InChIKey
KCXJTFQFEKXYHG-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol
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 150.9
[M+Na]+ 204.06066 157.1
[M-H]- 180.06416 142.8
[M+NH4]+ 199.10526 168.1
[M+K]+ 220.03460 156.7
[M+H-H2O]+ 164.06870 140.8
[M+HCOO]- 226.06964 156.6
[M+CH3COO]- 240.08529 182.2
[M+Na-2H]- 202.04611 160.1
[M]+ 181.07089 154.8
[M]- 181.07199 154.8
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.