CID 84070765

1-(3-amino-4-fluoropyrrolidin-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C6H11FN2O
SMILES
CC(=O)N1CC(C(C1)F)N
InChI
InChI=1S/C6H11FN2O/c1-4(10)9-2-5(7)6(8)3-9/h5-6H,2-3,8H2,1H3
InChIKey
XPOYUVJCFNVBBA-UHFFFAOYSA-N
Compound name
1-(3-amino-4-fluoropyrrolidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

146.08554 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09282 129.3
[M+Na]+ 169.07476 136.9
[M-H]- 145.07826 129.9
[M+NH4]+ 164.11936 150.8
[M+K]+ 185.04870 135.9
[M+H-H2O]+ 129.08280 122.7
[M+HCOO]- 191.08374 150.1
[M+CH3COO]- 205.09939 176.1
[M+Na-2H]- 167.06021 130.8
[M]+ 146.08499 124.2
[M]- 146.08609 124.2
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