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 146.3
[M+Na]+ 234.06561 154.8
[M-H]- 210.06911 149.1
[M+NH4]+ 229.11021 165.4
[M+K]+ 250.03955 149.0
[M+H-H2O]+ 194.07365 140.7
[M+HCOO]- 256.07459 160.8
[M+CH3COO]- 270.09024 180.3
[M+Na-2H]- 232.05106 147.8
[M]+ 211.07584 143.6
[M]- 211.07694 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.