CID 24700770

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

Structural Information

Molecular Formula
C11H15BrN2
SMILES
C1CN(CC1CN)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H15BrN2/c12-10-2-1-3-11(6-10)14-5-4-9(7-13)8-14/h1-3,6,9H,4-5,7-8,13H2
InChIKey
BUABTOHPKFPMPS-UHFFFAOYSA-N
Compound name
[1-(3-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]+ 255.04913 152.6
[M+Na]+ 277.03107 162.5
[M-H]- 253.03457 159.7
[M+NH4]+ 272.07567 173.2
[M+K]+ 293.00501 150.7
[M+H-H2O]+ 237.03911 151.2
[M+HCOO]- 299.04005 172.6
[M+CH3COO]- 313.05570 192.5
[M+Na-2H]- 275.01652 156.5
[M]+ 254.04130 167.0
[M]- 254.04240 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.