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]+ 159.07642 130.2
[M+Na]+ 181.05836 137.3
[M-H]- 157.06186 133.7
[M+NH4]+ 176.10296 151.7
[M+K]+ 197.03230 138.4
[M+H-H2O]+ 141.06640 123.7
[M+HCOO]- 203.06734 154.8
[M+CH3COO]- 217.08299 178.8
[M+Na-2H]- 179.04381 134.7
[M]+ 158.06859 131.0
[M]- 158.06969 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.