CID 24700159

[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

Structural Information

Molecular Formula
C7H13F3N2
SMILES
C1CN(CC1CN)CC(F)(F)F
InChI
InChI=1S/C7H13F3N2/c8-7(9,10)5-12-2-1-6(3-11)4-12/h6H,1-5,11H2
InChIKey
AWLXCAAXHNSOHI-UHFFFAOYSA-N
Compound name
[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

182.10309 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.110366 136.8
[M+Na]+ 205.092308 143.5
[M-H]- 181.095814 134.2
[M+NH4]+ 200.136913 156.6
[M+K]+ 221.066248 141.5
[M+H-H2O]+ 165.100350 128.3
[M+HCOO]- 227.101291 154.1
[M+CH3COO]- 241.116941 182.0
[M+Na-2H]- 203.077756 139.2
[M]+ 182.10254142 128.7
[M]- 182.10363858 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