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]+ 212.083666 146.3
[M+Na]+ 234.065608 154.8
[M-H]- 210.069114 149.1
[M+NH4]+ 229.110213 165.4
[M+K]+ 250.039548 149.0
[M+H-H2O]+ 194.073650 140.7
[M+HCOO]- 256.074591 160.8
[M+CH3COO]- 270.090241 180.3
[M+Na-2H]- 232.051056 147.8
[M]+ 211.07584142 143.6
[M]- 211.07693858 143.6
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.