CID 95359041

2219371-18-1

Structural Information

Molecular Formula
C14H20ClFN2
SMILES
CC(C)(C)N1CC[C@H]([C@@H]1C2=CC(=C(C=C2)Cl)F)N
InChI
InChI=1S/C14H20ClFN2/c1-14(2,3)18-7-6-12(17)13(18)9-4-5-10(15)11(16)8-9/h4-5,8,12-13H,6-7,17H2,1-3H3/t12-,13+/m1/s1
InChIKey
OXUQCZJNJPLSAY-OLZOCXBDSA-N
Compound name
(2S,3R)-1-tert-butyl-2-(4-chloro-3-fluorophenyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

270.1299 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13718 164.1
[M+Na]+ 293.11912 172.8
[M-H]- 269.12262 167.9
[M+NH4]+ 288.16372 182.1
[M+K]+ 309.09306 167.0
[M+H-H2O]+ 253.12716 157.0
[M+HCOO]- 315.12810 178.1
[M+CH3COO]- 329.14375 200.2
[M+Na-2H]- 291.10457 163.7
[M]+ 270.12935 161.8
[M]- 270.13045 161.8
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