CID 5056297

351002-72-7

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC(C)(C)OC(=O)N1CCCC1(CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C17H23NO4/c1-16(2,3)22-15(21)18-11-7-10-17(18,14(19)20)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,19,20)
InChIKey
JUUNPRGYFCIXSM-UHFFFAOYSA-N
Compound name
2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

305.16272 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 171.9
[M+Na]+ 328.15194 180.2
[M+NH4]+ 323.19654 178.6
[M+K]+ 344.12588 176.6
[M-H]- 304.15544 171.6
[M+Na-2H]- 326.13739 176.9
[M]+ 305.16217 172.8
[M]- 305.16327 172.8
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