CID 56777183

H-hyp(tbu)-otbu.hcl

Structural Information

Molecular Formula
C13H25NO3
SMILES
CC(C)(C)O[C@@H]1C[C@H](NC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H25NO3/c1-12(2,3)16-9-7-10(14-8-9)11(15)17-13(4,5)6/h9-10,14H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKey
YXZJRETWUVFEFX-ZJUUUORDSA-N
Compound name
tert-butyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

243.18344 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.190716 160.5
[M+Na]+ 266.172658 165.6
[M-H]- 242.176164 160.9
[M+NH4]+ 261.217263 178.2
[M+K]+ 282.146598 164.8
[M+H-H2O]+ 226.180700 155.6
[M+HCOO]- 288.181641 175.5
[M+CH3COO]- 302.197291 190.2
[M+Na-2H]- 264.158106 162.1
[M]+ 243.18289142 160.6
[M]- 243.18398858 160.6
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