CID 137347406

1-(adamantan-1-yl)-3,3,3-trifluoropropan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H20F3N
SMILES
C1C2CC3CC1CC(C2)(C3)C(CC(F)(F)F)N
InChI
InChI=1S/C13H20F3N/c14-13(15,16)7-11(17)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11H,1-7,17H2
InChIKey
ZNVCYHBMGHKJKL-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3,3,3-trifluoropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15479 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16207 162.9
[M+Na]+ 270.14401 164.7
[M-H]- 246.14751 153.7
[M+NH4]+ 265.18861 186.5
[M+K]+ 286.11795 160.6
[M+H-H2O]+ 230.15205 155.0
[M+HCOO]- 292.15299 164.6
[M+CH3COO]- 306.16864 169.2
[M+Na-2H]- 268.12946 170.5
[M]+ 247.15424 156.5
[M]- 247.15534 156.5
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.