CID 3042458

Brn 4259384

Structural Information

Molecular Formula
C13H14ClNO3
SMILES
COC(=O)[C@@H]1CCC(=O)N1CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H14ClNO3/c1-18-13(17)11-6-7-12(16)15(11)8-9-2-4-10(14)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKey
UOVJKYLITXKGCT-NSHDSACASA-N
Compound name
methyl (2S)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

267.06622 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07350 157.6
[M+Na]+ 290.05544 169.9
[M+NH4]+ 285.10004 165.0
[M+K]+ 306.02938 165.3
[M-H]- 266.05894 159.5
[M+Na-2H]- 288.04089 162.9
[M]+ 267.06567 159.9
[M]- 267.06677 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.