CID 170917021

Ebc-395259

Structural Information

Molecular Formula
C7H12N2O3
SMILES
C[C@]1(CCCN1N=O)C(=O)OC
InChI
InChI=1S/C7H12N2O3/c1-7(6(10)12-2)4-3-5-9(7)8-11/h3-5H2,1-2H3/t7-/m0/s1
InChIKey
UZYHIRCIPNMRPV-ZETCQYMHSA-N
Compound name
methyl (2S)-2-methyl-1-nitrosopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.092076 133.1
[M+Na]+ 195.074018 140.7
[M-H]- 171.077524 136.8
[M+NH4]+ 190.118623 156.1
[M+K]+ 211.047958 141.8
[M+H-H2O]+ 155.082060 127.6
[M+HCOO]- 217.083001 157.4
[M+CH3COO]- 231.098651 181.4
[M+Na-2H]- 193.059466 138.5
[M]+ 172.08425142 134.6
[M]- 172.08534858 134.6
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.