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]+ 256.033156 152.2
[M+Na]+ 278.015098 162.5
[M-H]- 254.018604 158.7
[M+NH4]+ 273.059703 172.7
[M+K]+ 293.989038 151.1
[M+H-H2O]+ 238.023140 151.7
[M+HCOO]- 300.024081 170.6
[M+CH3COO]- 314.039731 188.0
[M+Na-2H]- 276.000546 156.3
[M]+ 255.02533142 167.8
[M]- 255.02642858 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