CID 145913017

2378489-88-2

Structural Information

Molecular Formula
C9H12ClNO3
SMILES
COC(=O)[C@@H]1C[C@H](C(=O)N1C2CC2)Cl
InChI
InChI=1S/C9H12ClNO3/c1-14-9(13)7-4-6(10)8(12)11(7)5-2-3-5/h5-7H,2-4H2,1H3/t6-,7+/m1/s1
InChIKey
YBYPNGGUYRBQGG-RQJHMYQMSA-N
Compound name
methyl (2S,4R)-4-chloro-1-cyclopropyl-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.05057 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.05785 144.0
[M+Na]+ 240.03979 155.8
[M+NH4]+ 235.08439 151.9
[M+K]+ 256.01373 154.0
[M-H]- 216.04329 151.5
[M+Na-2H]- 238.02524 150.0
[M]+ 217.05002 148.8
[M]- 217.05112 148.8
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.