CID 70267638

1123305-98-5

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1COC)N
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12)5-9(13)7-15-4/h8-9H,5-7,12H2,1-4H3/t8-,9-/m1/s1
InChIKey
WZADLKHOAYNHPG-RKDXNWHRSA-N
Compound name
tert-butyl (2R,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

230.16304 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 155.4
[M+Na]+ 253.15226 161.3
[M-H]- 229.15576 157.0
[M+NH4]+ 248.19686 173.9
[M+K]+ 269.12620 161.0
[M+H-H2O]+ 213.16030 149.5
[M+HCOO]- 275.16124 174.5
[M+CH3COO]- 289.17689 191.8
[M+Na-2H]- 251.13771 156.1
[M]+ 230.16249 155.6
[M]- 230.16359 155.6
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