CID 19691331

Tert-butyl 3-(aminooxy)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H18N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)ON
InChI
InChI=1S/C9H18N2O3/c1-9(2,3)13-8(12)11-5-4-7(6-11)14-10/h7H,4-6,10H2,1-3H3
InChIKey
TXBMUODKIHDYCT-UHFFFAOYSA-N
Compound name
tert-butyl 3-aminooxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

202.13174 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.139016 146.7
[M+Na]+ 225.120958 152.5
[M-H]- 201.124464 148.3
[M+NH4]+ 220.165563 166.0
[M+K]+ 241.094898 152.7
[M+H-H2O]+ 185.129000 140.8
[M+HCOO]- 247.129941 166.5
[M+CH3COO]- 261.145591 184.5
[M+Na-2H]- 223.106406 149.0
[M]+ 202.13119142 145.8
[M]- 202.13228858 145.8
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

patents stripe