CID 145913017

Rac-methyl (2r,4s)-4-chloro-1-cyclopropyl-5-oxopyrrolidine-2-carboxylate

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 146.0
[M+Na]+ 240.03979 156.5
[M-H]- 216.04329 152.1
[M+NH4]+ 235.08439 161.2
[M+K]+ 256.01373 152.2
[M+H-H2O]+ 200.04783 140.3
[M+HCOO]- 262.04877 162.5
[M+CH3COO]- 276.06442 188.2
[M+Na-2H]- 238.02524 146.5
[M]+ 217.05002 150.3
[M]- 217.05112 150.3
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.