CID 119030850

1820579-79-0

Structural Information

Molecular Formula
C10H15FN2S
SMILES
C1[C@@H](CN([C@@H]1CN)CC2=CC=CS2)F
InChI
InChI=1S/C10H15FN2S/c11-8-4-9(5-12)13(6-8)7-10-2-1-3-14-10/h1-3,8-9H,4-7,12H2/t8-,9-/m0/s1
InChIKey
OWUQEEHZKUTZSJ-IUCAKERBSA-N
Compound name
[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.094 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10128 145.6
[M+Na]+ 237.08322 153.5
[M-H]- 213.08672 149.6
[M+NH4]+ 232.12782 166.9
[M+K]+ 253.05716 150.2
[M+H-H2O]+ 197.09126 138.4
[M+HCOO]- 259.09220 163.1
[M+CH3COO]- 273.10785 186.5
[M+Na-2H]- 235.06867 143.2
[M]+ 214.09345 143.3
[M]- 214.09455 143.3
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

No patent data available for this compound.