CID 3051536

67466-35-7

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CCC1C(CCN1)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C12H16ClNO/c1-2-11-12(15,7-8-14-11)9-3-5-10(13)6-4-9/h3-6,11,14-15H,2,7-8H2,1H3
InChIKey
JVEAHEIUQPHJRZ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-ethylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 150.0
[M+Na]+ 248.08126 158.1
[M-H]- 224.08476 152.6
[M+NH4]+ 243.12586 170.2
[M+K]+ 264.05520 152.1
[M+H-H2O]+ 208.08930 144.5
[M+HCOO]- 270.09024 164.3
[M+CH3COO]- 284.10589 181.7
[M+Na-2H]- 246.06671 152.8
[M]+ 225.09149 147.5
[M]- 225.09259 147.5
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.