CID 165651340

2792185-31-8

Structural Information

Molecular Formula
C7H11F3N2
SMILES
C1CN2CC(C1(C2)C(F)(F)F)N
InChI
InChI=1S/C7H11F3N2/c8-7(9,10)6-1-2-12(4-6)3-5(6)11/h5H,1-4,11H2
InChIKey
IJPNESMGBAGQMY-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-1-azabicyclo[2.2.1]heptan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08743 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09471 134.8
[M+Na]+ 203.07665 143.3
[M-H]- 179.08015 132.3
[M+NH4]+ 198.12125 160.2
[M+K]+ 219.05059 140.9
[M+H-H2O]+ 163.08469 128.2
[M+HCOO]- 225.08563 151.3
[M+CH3COO]- 239.10128 180.9
[M+Na-2H]- 201.06210 139.3
[M]+ 180.08688 127.4
[M]- 180.08798 127.4
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.