CID 50989718

6-amino-2-(trifluoromethyl)spiro[3.3]heptan-2-ol hydrochloride

Structural Information

Molecular Formula
C8H12F3NO
SMILES
C1C(CC12CC(C2)(C(F)(F)F)O)N
InChI
InChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-6(4-7)1-5(12)2-6/h5,13H,1-4,12H2
InChIKey
FRSUAPFITHYPTB-UHFFFAOYSA-N
Compound name
6-amino-2-(trifluoromethyl)spiro[3.3]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0871 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09438 142.2
[M+Na]+ 218.07632 147.4
[M-H]- 194.07982 143.0
[M+NH4]+ 213.12092 151.2
[M+K]+ 234.05026 150.3
[M+H-H2O]+ 178.08436 128.8
[M+HCOO]- 240.08530 155.4
[M+CH3COO]- 254.10095 193.9
[M+Na-2H]- 216.06177 146.4
[M]+ 195.08655 150.9
[M]- 195.08765 150.9
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.