CID 4693076

2-(5-bromo-2-methoxyphenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H14BrNO
SMILES
COC1=C(C=C(C=C1)Br)C2CCCN2
InChI
InChI=1S/C11H14BrNO/c1-14-11-5-4-8(12)7-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3
InChIKey
MISWUQUOGCFJPF-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-methoxyphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.02588 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 152.2
[M+Na]+ 278.01510 162.5
[M-H]- 254.01860 158.7
[M+NH4]+ 273.05970 172.7
[M+K]+ 293.98904 151.1
[M+H-H2O]+ 238.02314 151.7
[M+HCOO]- 300.02408 170.6
[M+CH3COO]- 314.03973 188.0
[M+Na-2H]- 276.00055 156.3
[M]+ 255.02533 167.8
[M]- 255.02643 167.8
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

patents stripe