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

4
Patents

330.17908 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18636 174.8
[M+Na]+ 353.16830 177.8
[M+NH4]+ 348.21290 176.7
[M+K]+ 369.14224 180.8
[M-H]- 329.17180 169.8
[M+Na-2H]- 351.15375 172.7
[M]+ 330.17853 173.0
[M]- 330.17963 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

patents stripe