CID 167715875

1-[6-(trifluoromethyl)spiro[3.3]heptan-2-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C9H14F3N
SMILES
C1C(CC12CC(C2)C(F)(F)F)CN
InChI
InChI=1S/C9H14F3N/c10-9(11,12)7-3-8(4-7)1-6(2-8)5-13/h6-7H,1-5,13H2
InChIKey
CIBVXQJZVQFUPG-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.10783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11511 139.3
[M+Na]+ 216.09705 144.0
[M-H]- 192.10055 140.9
[M+NH4]+ 211.14165 147.4
[M+K]+ 232.07099 147.1
[M+H-H2O]+ 176.10509 124.3
[M+HCOO]- 238.10603 153.6
[M+CH3COO]- 252.12168 197.3
[M+Na-2H]- 214.08250 142.7
[M]+ 193.10728 148.4
[M]- 193.10838 148.4
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.