CID 154853035

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

Structural Information

Molecular Formula
C9H14F3NO
SMILES
C1C(CC12CC(C2)(C(F)(F)F)O)CN
InChI
InChI=1S/C9H14F3NO/c10-9(11,12)8(14)4-7(5-8)1-6(2-7)3-13/h6,14H,1-5,13H2
InChIKey
XCOWZCDNGQSIQC-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-2-(trifluoromethyl)spiro[3.3]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.10275 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11003 146.6
[M+Na]+ 232.09197 151.4
[M-H]- 208.09547 147.2
[M+NH4]+ 227.13657 155.1
[M+K]+ 248.06591 154.0
[M+H-H2O]+ 192.10001 133.0
[M+HCOO]- 254.10095 159.5
[M+CH3COO]- 268.11660 196.6
[M+Na-2H]- 230.07742 150.2
[M]+ 209.10220 155.6
[M]- 209.10330 155.6
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.