CID 66662569

851000-71-0

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C15H21NO3/c1-14(2,3)19-13(17)16-10-9-15(18,11-16)12-7-5-4-6-8-12/h4-8,18H,9-11H2,1-3H3
InChIKey
SUVXRTSOZHJSGE-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

263.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 162.6
[M+Na]+ 286.14135 168.6
[M-H]- 262.14485 166.6
[M+NH4]+ 281.18595 181.0
[M+K]+ 302.11529 166.5
[M+H-H2O]+ 246.14939 156.5
[M+HCOO]- 308.15033 180.1
[M+CH3COO]- 322.16598 190.8
[M+Na-2H]- 284.12680 165.6
[M]+ 263.15158 161.7
[M]- 263.15268 161.7
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