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]+ 254.053896 149.0
[M+Na]+ 276.035838 160.0
[M-H]- 252.039344 158.1
[M+NH4]+ 271.080443 164.8
[M+K]+ 292.009778 147.8
[M+H-H2O]+ 236.043880 147.7
[M+HCOO]- 298.044821 170.2
[M+CH3COO]- 312.060471 197.4
[M+Na-2H]- 274.021286 154.6
[M]+ 253.04607142 166.9
[M]- 253.04716858 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.