CID 58412958

1207183-65-0

Structural Information

Molecular Formula
C15H20ClNO2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H20ClNO2/c1-15(2,3)19-14(18)17-8-7-12(10-17)11-5-4-6-13(16)9-11/h4-6,9,12H,7-8,10H2,1-3H3
InChIKey
BWTXNIRVBTYURD-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-chlorophenyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.11826 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12554 166.6
[M+Na]+ 304.10748 173.8
[M-H]- 280.11098 171.8
[M+NH4]+ 299.15208 184.1
[M+K]+ 320.08142 169.8
[M+H-H2O]+ 264.11552 160.1
[M+HCOO]- 326.11646 180.7
[M+CH3COO]- 340.13211 196.7
[M+Na-2H]- 302.09293 167.3
[M]+ 281.11771 168.1
[M]- 281.11881 168.1
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