CID 137944269

2287255-42-7

Structural Information

Molecular Formula
C13H14ClNO3
SMILES
C[C@@H](C1=CC=C(C=C1)Cl)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C13H14ClNO3/c1-8(9-2-4-11(14)5-3-9)15-7-10(13(17)18)6-12(15)16/h2-5,8,10H,6-7H2,1H3,(H,17,18)/t8-,10?/m0/s1
InChIKey
WASXNRJTQTZWRN-PEHGTWAWSA-N
Compound name
1-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.06622 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07350 157.9
[M+Na]+ 290.05544 165.7
[M-H]- 266.05894 162.1
[M+NH4]+ 285.10004 175.0
[M+K]+ 306.02938 161.3
[M+H-H2O]+ 250.06348 151.8
[M+HCOO]- 312.06442 172.1
[M+CH3COO]- 326.08007 193.1
[M+Na-2H]- 288.04089 156.7
[M]+ 267.06567 158.1
[M]- 267.06677 158.1
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.