CID 145913440

2377030-48-1

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC(C)(C)OC(=O)N1CC(C[C@H]1C(=O)O)C23CC(C2)C3
InChI
InChI=1S/C15H23NO4/c1-14(2,3)20-13(19)16-8-10(4-11(16)12(17)18)15-5-9(6-15)7-15/h9-11H,4-8H2,1-3H3,(H,17,18)/t9?,10?,11-,15?/m0/s1
InChIKey
AWOFXTCXNQQBTB-RUIJOYPPSA-N
Compound name
(2S)-4-(1-bicyclo[1.1.1]pentanyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

281.16272 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.169996 180.5
[M+Na]+ 304.151938 180.4
[M-H]- 280.155444 182.8
[M+NH4]+ 299.196543 181.2
[M+K]+ 320.125878 186.7
[M+H-H2O]+ 264.159980 166.1
[M+HCOO]- 326.160921 186.9
[M+CH3COO]- 340.176571 221.2
[M+Na-2H]- 302.137386 179.9
[M]+ 281.16217142 204.2
[M]- 281.16326858 204.2
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

patents stripe