CID 53427192

Dtxsid40699472

Structural Information

Molecular Formula
C11H14ClNO3
SMILES
C1=CC(=CC=C1C2C(C(C(N2)CO)O)O)Cl
InChI
InChI=1S/C11H14ClNO3/c12-7-3-1-6(2-4-7)9-11(16)10(15)8(5-14)13-9/h1-4,8-11,13-16H,5H2
InChIKey
CBZLHTRTMUHBID-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06622 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07350 152.3
[M+Na]+ 266.05544 160.6
[M-H]- 242.05894 152.8
[M+NH4]+ 261.10004 168.8
[M+K]+ 282.02938 154.2
[M+H-H2O]+ 226.06348 147.3
[M+HCOO]- 288.06442 164.2
[M+CH3COO]- 302.08007 181.1
[M+Na-2H]- 264.04089 152.4
[M]+ 243.06567 149.2
[M]- 243.06677 149.2
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.