CID 13018946

[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine

Structural Information

Molecular Formula
C7H13F3N2
SMILES
C1CC(N(C1)CC(F)(F)F)CN
InChI
InChI=1S/C7H13F3N2/c8-7(9,10)5-12-3-1-2-6(12)4-11/h6H,1-5,11H2
InChIKey
FEEKNVYEXIAVGN-UHFFFAOYSA-N
Compound name
[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

182.10309 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11037 136.8
[M+Na]+ 205.09231 143.5
[M-H]- 181.09581 134.2
[M+NH4]+ 200.13691 156.6
[M+K]+ 221.06625 141.5
[M+H-H2O]+ 165.10035 128.3
[M+HCOO]- 227.10129 154.1
[M+CH3COO]- 241.11694 182.0
[M+Na-2H]- 203.07776 139.2
[M]+ 182.10254 128.7
[M]- 182.10364 128.7
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

patents stripe