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

7
Patents

243.18344 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.19072 160.5
[M+Na]+ 266.17266 165.6
[M-H]- 242.17616 160.9
[M+NH4]+ 261.21726 178.2
[M+K]+ 282.14660 164.8
[M+H-H2O]+ 226.18070 155.6
[M+HCOO]- 288.18164 175.5
[M+CH3COO]- 302.19729 190.2
[M+Na-2H]- 264.15811 162.1
[M]+ 243.18289 160.6
[M]- 243.18399 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