CID 145709281

Tert-butyl (2s,4s)-2-(bromomethyl)-4-fluoropyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H17BrFNO2
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1CBr)F
InChI
InChI=1S/C10H17BrFNO2/c1-10(2,3)15-9(14)13-6-7(12)4-8(13)5-11/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKey
JYLQTSMQJJFJIY-YUMQZZPRSA-N
Compound name
tert-butyl (2S,4S)-2-(bromomethyl)-4-fluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.04266 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.04994 160.4
[M+Na]+ 304.03188 171.2
[M-H]- 280.03538 164.0
[M+NH4]+ 299.07648 181.1
[M+K]+ 320.00582 161.1
[M+H-H2O]+ 264.03992 159.9
[M+HCOO]- 326.04086 176.0
[M+CH3COO]- 340.05651 194.8
[M+Na-2H]- 302.01733 162.4
[M]+ 281.04211 177.9
[M]- 281.04321 177.9
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.