CID 155978108

Methyl 1-nitrosopyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C6H10N2O3
SMILES
COC(=O)C1CCN(C1)N=O
InChI
InChI=1S/C6H10N2O3/c1-11-6(9)5-2-3-8(4-5)7-10/h5H,2-4H2,1H3
InChIKey
KNMLJNOBORFQAN-UHFFFAOYSA-N
Compound name
methyl 1-nitrosopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.06914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.076416 130.2
[M+Na]+ 181.058358 137.3
[M-H]- 157.061864 133.7
[M+NH4]+ 176.102963 151.7
[M+K]+ 197.032298 138.4
[M+H-H2O]+ 141.066400 123.7
[M+HCOO]- 203.067341 154.8
[M+CH3COO]- 217.082991 178.8
[M+Na-2H]- 179.043806 134.7
[M]+ 158.06859142 131.0
[M]- 158.06968858 131.0
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.