CID 122164044

5-chloro-4-methyl-2-(pyrrolidin-3-yl)phenol hydrobromide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC1=CC(=C(C=C1Cl)O)C2CCNC2
InChI
InChI=1S/C11H14ClNO/c1-7-4-9(8-2-3-13-6-8)11(14)5-10(7)12/h4-5,8,13-14H,2-3,6H2,1H3
InChIKey
XULVBIDWNDJTOE-UHFFFAOYSA-N
Compound name
5-chloro-4-methyl-2-pyrrolidin-3-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 145.1
[M+Na]+ 234.06561 158.0
[M+NH4]+ 229.11021 154.0
[M+K]+ 250.03955 152.7
[M-H]- 210.06911 147.8
[M+Na-2H]- 232.05106 151.2
[M]+ 211.07584 147.9
[M]- 211.07694 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.