CID 21341545

(4r)-1-boc-4-(boc-amino)-l-proline

Structural Information

Molecular Formula
C15H26N2O6
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-9-7-10(11(18)19)17(8-9)13(21)23-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,20)(H,18,19)/t9-,10+/m1/s1
InChIKey
NQQSUHFDJACIAC-ZJUUUORDSA-N
Compound name
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

330.17908 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.186356 176.0
[M+Na]+ 353.168298 179.8
[M-H]- 329.171804 176.6
[M+NH4]+ 348.212903 189.7
[M+K]+ 369.142238 180.6
[M+H-H2O]+ 313.176340 170.9
[M+HCOO]- 375.177281 190.5
[M+CH3COO]- 389.192931 207.1
[M+Na-2H]- 351.153746 175.4
[M]+ 330.17853142 177.8
[M]- 330.17962858 177.8
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