CID 24701559

[1-(4-bromophenyl)pyrrolidin-3-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C11H15BrN2
SMILES
C1CN(CC1CN)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H15BrN2/c12-10-1-3-11(4-2-10)14-6-5-9(7-13)8-14/h1-4,9H,5-8,13H2
InChIKey
PYKQXNPPMHKMLO-UHFFFAOYSA-N
Compound name
[1-(4-bromophenyl)pyrrolidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.04185 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.049126 152.6
[M+Na]+ 277.031068 162.5
[M-H]- 253.034574 159.7
[M+NH4]+ 272.075673 173.2
[M+K]+ 293.005008 150.7
[M+H-H2O]+ 237.039110 151.2
[M+HCOO]- 299.040051 172.6
[M+CH3COO]- 313.055701 192.5
[M+Na-2H]- 275.016516 156.5
[M]+ 254.04130142 167.0
[M]- 254.04239858 167.0
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.