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]+ 243.206706 160.9
[M+Na]+ 265.188648 166.5
[M-H]- 241.192154 162.6
[M+NH4]+ 260.233253 179.2
[M+K]+ 281.162588 165.8
[M+H-H2O]+ 225.196690 155.7
[M+HCOO]- 287.197631 177.6
[M+CH3COO]- 301.213281 195.6
[M+Na-2H]- 263.174096 161.6
[M]+ 242.19888142 159.8
[M]- 242.19997858 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.