CID 2762127

959577-53-8

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC1=CC=C(C=C1)[C@@H]2CN(C[C@H]2C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H23NO4/c1-11-5-7-12(8-6-11)13-9-18(10-14(13)15(19)20)16(21)22-17(2,3)4/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)/t13-,14+/m0/s1
InChIKey
FNYOAUTWNGUZLV-UONOGXRCSA-N
Compound name
(3S,4R)-4-(4-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.16272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 172.1
[M+Na]+ 328.15194 181.0
[M+NH4]+ 323.19654 177.3
[M+K]+ 344.12588 179.5
[M-H]- 304.15544 172.0
[M+Na-2H]- 326.13739 174.9
[M]+ 305.16217 173.0
[M]- 305.16327 173.0
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.