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]+ 256.03316 151.8
[M+Na]+ 278.01510 161.7
[M-H]- 254.01860 157.0
[M+NH4]+ 273.05970 173.3
[M+K]+ 293.98904 149.6
[M+H-H2O]+ 238.02314 152.1
[M+HCOO]- 300.02408 168.9
[M+CH3COO]- 314.03973 165.2
[M+Na-2H]- 276.00055 157.2
[M]+ 255.02533 165.8
[M]- 255.02643 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.