CID 65094994

4-tert-butyl-1-(trifluoromethyl)cycloheptan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H22F3N
SMILES
CC(C)(C)C1CCCC(CC1)(C(F)(F)F)N
InChI
InChI=1S/C12H22F3N/c1-10(2,3)9-5-4-7-11(16,8-6-9)12(13,14)15/h9H,4-8,16H2,1-3H3
InChIKey
JQLDMVFQXHBNML-UHFFFAOYSA-N
Compound name
4-tert-butyl-1-(trifluoromethyl)cycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.17044 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.17772 143.3
[M+Na]+ 260.15966 146.7
[M-H]- 236.16316 143.2
[M+NH4]+ 255.20426 161.3
[M+K]+ 276.13360 148.7
[M+H-H2O]+ 220.16770 137.1
[M+HCOO]- 282.16864 156.4
[M+CH3COO]- 296.18429 195.2
[M+Na-2H]- 258.14511 146.9
[M]+ 237.16989 131.5
[M]- 237.17099 131.5
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.