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]+ 173.09208 133.1
[M+Na]+ 195.07402 140.7
[M-H]- 171.07752 136.8
[M+NH4]+ 190.11862 156.1
[M+K]+ 211.04796 141.8
[M+H-H2O]+ 155.08206 127.6
[M+HCOO]- 217.08300 157.4
[M+CH3COO]- 231.09865 181.4
[M+Na-2H]- 193.05947 138.5
[M]+ 172.08425 134.6
[M]- 172.08535 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.