CID 130774604

[1-(trifluoromethyl)cycloheptyl]methanamine

Structural Information

Molecular Formula
C9H16F3N
SMILES
C1CCCC(CC1)(CN)C(F)(F)F
InChI
InChI=1S/C9H16F3N/c10-9(11,12)8(7-13)5-3-1-2-4-6-8/h1-7,13H2
InChIKey
JBCJUNGZYQTPQR-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)cycloheptyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12349 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13077 132.1
[M+Na]+ 218.11271 135.2
[M-H]- 194.11621 131.7
[M+NH4]+ 213.15731 151.1
[M+K]+ 234.08665 137.2
[M+H-H2O]+ 178.12075 125.3
[M+HCOO]- 240.12169 147.5
[M+CH3COO]- 254.13734 185.8
[M+Na-2H]- 216.09816 136.7
[M]+ 195.12294 119.4
[M]- 195.12404 119.4
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.