CID 53417582

3-(trifluoromethyl)pyrrolidin-1-amine hydrochloride

Structural Information

Molecular Formula
C5H9F3N2
SMILES
C1CN(CC1C(F)(F)F)N
InChI
InChI=1S/C5H9F3N2/c6-5(7,8)4-1-2-10(9)3-4/h4H,1-3,9H2
InChIKey
MECUILUVZMNAPO-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)pyrrolidin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

154.07178 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07906 127.5
[M+Na]+ 177.06100 135.1
[M-H]- 153.06450 125.3
[M+NH4]+ 172.10560 148.5
[M+K]+ 193.03494 133.5
[M+H-H2O]+ 137.06904 119.4
[M+HCOO]- 199.06998 145.5
[M+CH3COO]- 213.08563 175.9
[M+Na-2H]- 175.04645 131.0
[M]+ 154.07123 118.6
[M]- 154.07233 118.6
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