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 176.0
[M+Na]+ 353.16830 179.8
[M-H]- 329.17180 176.6
[M+NH4]+ 348.21290 189.7
[M+K]+ 369.14224 180.6
[M+H-H2O]+ 313.17634 170.9
[M+HCOO]- 375.17728 190.5
[M+CH3COO]- 389.19293 207.1
[M+Na-2H]- 351.15375 175.4
[M]+ 330.17853 177.8
[M]- 330.17963 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