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]+ 155.079056 127.5
[M+Na]+ 177.060998 135.1
[M-H]- 153.064504 125.3
[M+NH4]+ 172.105603 148.5
[M+K]+ 193.034938 133.5
[M+H-H2O]+ 137.069040 119.4
[M+HCOO]- 199.069981 145.5
[M+CH3COO]- 213.085631 175.9
[M+Na-2H]- 175.046446 131.0
[M]+ 154.07123142 118.6
[M]- 154.07232858 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