CID 61992480

1-(3-bromophenyl)-3-cyclopropylpropan-2-amine hydrochloride

Structural Information

Molecular Formula
C12H16BrN
SMILES
C1CC1CC(CC2=CC(=CC=C2)Br)N
InChI
InChI=1S/C12H16BrN/c13-11-3-1-2-10(6-11)8-12(14)7-9-4-5-9/h1-3,6,9,12H,4-5,7-8,14H2
InChIKey
ARXAFTBAJXGJLP-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-3-cyclopropylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.04662 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05390 149.0
[M+Na]+ 276.03584 160.0
[M-H]- 252.03934 158.1
[M+NH4]+ 271.08044 164.8
[M+K]+ 292.00978 147.8
[M+H-H2O]+ 236.04388 147.7
[M+HCOO]- 298.04482 170.2
[M+CH3COO]- 312.06047 197.4
[M+Na-2H]- 274.02129 154.6
[M]+ 253.04607 166.9
[M]- 253.04717 166.9
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.