CID 75355401

3-(4-bromo-2-methoxyphenyl)propan-1-amine

Structural Information

Molecular Formula
C10H14BrNO
SMILES
COC1=C(C=CC(=C1)Br)CCCN
InChI
InChI=1S/C10H14BrNO/c1-13-10-7-9(11)5-4-8(10)3-2-6-12/h4-5,7H,2-3,6,12H2,1H3
InChIKey
OXURAAPXMZEYQC-UHFFFAOYSA-N
Compound name
3-(4-bromo-2-methoxyphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.02588 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03316 146.6
[M+Na]+ 266.01510 157.5
[M-H]- 242.01860 152.4
[M+NH4]+ 261.05970 167.5
[M+K]+ 281.98904 146.0
[M+H-H2O]+ 226.02314 145.9
[M+HCOO]- 288.02408 168.7
[M+CH3COO]- 302.03973 192.7
[M+Na-2H]- 264.00055 152.9
[M]+ 243.02533 165.6
[M]- 243.02643 165.6
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.