CID 105511382

[3-(4-bromophenyl)pyrrolidin-3-yl]methanol hydrochloride

Structural Information

Molecular Formula
C11H14BrNO
SMILES
C1CNCC1(CO)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(8-14)5-6-13-7-11/h1-4,13-14H,5-8H2
InChIKey
NJRIFCIZEVLVJD-UHFFFAOYSA-N
Compound name
[3-(4-bromophenyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.033156 151.8
[M+Na]+ 278.015098 161.7
[M-H]- 254.018604 157.0
[M+NH4]+ 273.059703 173.3
[M+K]+ 293.989038 149.6
[M+H-H2O]+ 238.023140 152.1
[M+HCOO]- 300.024081 168.9
[M+CH3COO]- 314.039731 165.2
[M+Na-2H]- 276.000546 157.2
[M]+ 255.02533142 165.8
[M]- 255.02642858 165.8
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

No patent data available for this compound.