CID 52644123

(4s)-4-[(tert-butoxycarbonyl)amino]-1-methyl-l-proline hydrate

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H](N(C1)C)C(=O)O
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15)/t7-,8-/m0/s1
InChIKey
AZGABNOEFBPTEM-YUMQZZPRSA-N
Compound name
(2S,4S)-1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

244.1423 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 156.2
[M+Na]+ 267.13152 161.7
[M+NH4]+ 262.17612 160.6
[M+K]+ 283.10546 162.1
[M-H]- 243.13502 153.4
[M+Na-2H]- 265.11697 156.1
[M]+ 244.14175 155.5
[M]- 244.14285 155.5
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