CID 138040639

2243510-33-8

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCOC(=N)[C@@H]1C[C@@H]1C(=O)OCC
InChI
InChI=1S/C9H15NO3/c1-3-12-8(10)6-5-7(6)9(11)13-4-2/h6-7,10H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKey
DOPURGVTRJWLNM-RQJHMYQMSA-N
Compound name
ethyl (1S,2R)-2-(C-ethoxycarbonimidoyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 140.8
[M+Na]+ 208.09442 149.0
[M-H]- 184.09792 145.5
[M+NH4]+ 203.13902 155.8
[M+K]+ 224.06836 147.1
[M+H-H2O]+ 168.10246 134.8
[M+HCOO]- 230.10340 164.0
[M+CH3COO]- 244.11905 188.3
[M+Na-2H]- 206.07987 144.1
[M]+ 185.10465 145.5
[M]- 185.10575 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.