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

15
Patents

230.16304 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.170316 155.4
[M+Na]+ 253.152258 161.3
[M-H]- 229.155764 157.0
[M+NH4]+ 248.196863 173.9
[M+K]+ 269.126198 161.0
[M+H-H2O]+ 213.160300 149.5
[M+HCOO]- 275.161241 174.5
[M+CH3COO]- 289.176891 191.8
[M+Na-2H]- 251.137706 156.1
[M]+ 230.16249142 155.6
[M]- 230.16358858 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