CID 60861449

1-(3-bromophenyl)pyrrolidin-3-amine

Structural Information

Molecular Formula
C10H13BrN2
SMILES
C1CN(CC1N)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H13BrN2/c11-8-2-1-3-10(6-8)13-5-4-9(12)7-13/h1-3,6,9H,4-5,7,12H2
InChIKey
ZSMIAVSFNGTAEH-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

240.02621 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.03349 148.0
[M+Na]+ 263.01543 158.4
[M-H]- 239.01893 155.4
[M+NH4]+ 258.06003 169.2
[M+K]+ 278.98937 146.8
[M+H-H2O]+ 223.02347 146.9
[M+HCOO]- 285.02441 168.3
[M+CH3COO]- 299.04006 162.3
[M+Na-2H]- 261.00088 152.5
[M]+ 240.02566 162.1
[M]- 240.02676 162.1
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