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]+ 201.12337 144.1
[M+Na]+ 223.10531 150.5
[M-H]- 199.10881 147.5
[M+NH4]+ 218.14991 164.2
[M+K]+ 239.07925 151.3
[M+H-H2O]+ 183.11335 138.0
[M+HCOO]- 245.11429 166.2
[M+CH3COO]- 259.12994 187.5
[M+Na-2H]- 221.09076 148.0
[M]+ 200.11554 145.5
[M]- 200.11664 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.