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

71
Patents

202.13174 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13902 146.7
[M+Na]+ 225.12096 152.5
[M-H]- 201.12446 148.3
[M+NH4]+ 220.16556 166.0
[M+K]+ 241.09490 152.7
[M+H-H2O]+ 185.12900 140.8
[M+HCOO]- 247.12994 166.5
[M+CH3COO]- 261.14559 184.5
[M+Na-2H]- 223.10641 149.0
[M]+ 202.13119 145.8
[M]- 202.13229 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