CID 43315255

1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

Structural Information

Molecular Formula
C6H11F3N2
SMILES
C1CN(CC1N)CC(F)(F)F
InChI
InChI=1S/C6H11F3N2/c7-6(8,9)4-11-2-1-5(10)3-11/h5H,1-4,10H2
InChIKey
NSCLPIBLZPOZRN-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

168.08743 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09471 132.1
[M+Na]+ 191.07665 139.3
[M-H]- 167.08015 129.7
[M+NH4]+ 186.12125 152.6
[M+K]+ 207.05059 137.5
[M+H-H2O]+ 151.08469 123.9
[M+HCOO]- 213.08563 149.8
[M+CH3COO]- 227.10128 178.9
[M+Na-2H]- 189.06210 135.1
[M]+ 168.08688 123.7
[M]- 168.08798 123.7
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