CID 165768729

En300-26666260

Structural Information

Molecular Formula
C15H20ClNO3
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@H]1C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C15H20ClNO3/c1-15(2,3)20-14(19)17-9-8-12(18)13(17)10-4-6-11(16)7-5-10/h4-7,12-13,18H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKey
NSUAQMJNOXCLQF-CHWSQXEVSA-N
Compound name
tert-butyl (2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11316 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12044 169.1
[M+Na]+ 320.10238 176.7
[M-H]- 296.10588 173.3
[M+NH4]+ 315.14698 185.5
[M+K]+ 336.07632 172.5
[M+H-H2O]+ 280.11042 163.2
[M+HCOO]- 342.11136 181.9
[M+CH3COO]- 356.12701 197.4
[M+Na-2H]- 318.08783 169.0
[M]+ 297.11261 170.6
[M]- 297.11371 170.6
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

No patent data available for this compound.