CID 137949334

Rac-(2r,5s)-1,5-bis[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C15H25NO6
SMILES
CC(C)(C)OC(=O)[C@@H]1CC[C@@H](N1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H25NO6/c1-14(2,3)21-12(19)10-8-7-9(11(17)18)16(10)13(20)22-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,17,18)/t9-,10+/m1/s1
InChIKey
IIMFQXVMTWORSM-ZJUUUORDSA-N
Compound name
(2R,5S)-1,5-bis[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16818 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17546 171.4
[M+Na]+ 338.15740 176.2
[M-H]- 314.16090 172.1
[M+NH4]+ 333.20200 186.1
[M+K]+ 354.13134 176.9
[M+H-H2O]+ 298.16544 166.8
[M+HCOO]- 360.16638 184.9
[M+CH3COO]- 374.18203 202.5
[M+Na-2H]- 336.14285 170.4
[M]+ 315.16763 174.2
[M]- 315.16873 174.2
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

No patent data available for this compound.