CID 97776770

1368231-20-2

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)[C@H]1[C@@H](CCN1C(=O)OC(C)(C)C)N
InChI
InChI=1S/C13H26N2O2/c1-12(2,3)10-9(14)7-8-15(10)11(16)17-13(4,5)6/h9-10H,7-8,14H2,1-6H3/t9-,10-/m1/s1
InChIKey
XBVWSUNLCPVWSK-NXEZZACHSA-N
Compound name
tert-butyl (2S,3R)-3-amino-2-tert-butylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 160.9
[M+Na]+ 265.18865 166.5
[M-H]- 241.19215 162.6
[M+NH4]+ 260.23325 179.2
[M+K]+ 281.16259 165.8
[M+H-H2O]+ 225.19669 155.7
[M+HCOO]- 287.19763 177.6
[M+CH3COO]- 301.21328 195.6
[M+Na-2H]- 263.17410 161.6
[M]+ 242.19888 159.8
[M]- 242.19998 159.8
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

No patent data available for this compound.