CID 138991349

2309433-05-2

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)CC2CCC2
InChI
InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-9-11(7-10-5-4-6-10)8-12(16)13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)/t11-,12-/m0/s1
InChIKey
FSWZRPJWULLYSL-RYUDHWBXSA-N
Compound name
(2S,4S)-4-(cyclobutylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

283.17834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.185616 168.2
[M+Na]+ 306.167558 170.2
[M-H]- 282.171064 171.2
[M+NH4]+ 301.212163 177.1
[M+K]+ 322.141498 172.1
[M+H-H2O]+ 266.175600 157.0
[M+HCOO]- 328.176541 181.5
[M+CH3COO]- 342.192191 200.2
[M+Na-2H]- 304.153006 165.4
[M]+ 283.17779142 175.4
[M]- 283.17888858 175.4
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