CID 2761923

957310-66-6

Structural Information

Molecular Formula
C21H31NO4
SMILES
CC(C)(C)C1=CC=C(C=C1)C[C@]2(CCCN2C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C21H31NO4/c1-19(2,3)16-10-8-15(9-11-16)14-21(17(23)24)12-7-13-22(21)18(25)26-20(4,5)6/h8-11H,7,12-14H2,1-6H3,(H,23,24)/t21-/m1/s1
InChIKey
BOEGKJLPJARVIT-OAQYLSRUSA-N
Compound name
(2R)-2-[(4-tert-butylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2253 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.23258 187.9
[M+Na]+ 384.21452 192.4
[M-H]- 360.21802 191.6
[M+NH4]+ 379.25912 202.5
[M+K]+ 400.18846 190.4
[M+H-H2O]+ 344.22256 182.4
[M+HCOO]- 406.22350 201.2
[M+CH3COO]- 420.23915 211.9
[M+Na-2H]- 382.19997 188.0
[M]+ 361.22475 189.2
[M]- 361.22585 189.2
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.