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 158.1
[M+Na]+ 290.05544 166.7
[M-H]- 266.05894 163.6
[M+NH4]+ 285.10004 176.0
[M+K]+ 306.02938 162.7
[M+H-H2O]+ 250.06348 151.5
[M+HCOO]- 312.06442 174.8
[M+CH3COO]- 326.08007 194.1
[M+Na-2H]- 288.04089 158.5
[M]+ 267.06567 160.7
[M]- 267.06677 160.7
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.