CID 167734014

Tert-butyl 1-nitrosopyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(C)(C)OC(=O)C1CCN(C1)N=O
InChI
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(12)7-4-5-11(6-7)10-13/h7H,4-6H2,1-3H3
InChIKey
UQPLVSBIKBMEMM-UHFFFAOYSA-N
Compound name
tert-butyl 1-nitrosopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.11609 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 144.1
[M+Na]+ 223.105308 150.5
[M-H]- 199.108814 147.5
[M+NH4]+ 218.149913 164.2
[M+K]+ 239.079248 151.3
[M+H-H2O]+ 183.113350 138.0
[M+HCOO]- 245.114291 166.2
[M+CH3COO]- 259.129941 187.5
[M+Na-2H]- 221.090756 148.0
[M]+ 200.11554142 145.5
[M]- 200.11663858 145.5
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.