CID 82299479

1368685-61-3

Structural Information

Molecular Formula
C11H14BrNO
SMILES
COC1=C(C=C(C=C1)C2(CC2)CN)Br
InChI
InChI=1S/C11H14BrNO/c1-14-10-3-2-8(6-9(10)12)11(7-13)4-5-11/h2-3,6H,4-5,7,13H2,1H3
InChIKey
KMHFJYXKOSIITK-UHFFFAOYSA-N
Compound name
[1-(3-bromo-4-methoxyphenyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 147.1
[M+Na]+ 278.01510 160.2
[M-H]- 254.01860 157.0
[M+NH4]+ 273.05970 164.9
[M+K]+ 293.98904 148.9
[M+H-H2O]+ 238.02314 147.1
[M+HCOO]- 300.02408 169.3
[M+CH3COO]- 314.03973 196.3
[M+Na-2H]- 276.00055 154.6
[M]+ 255.02533 167.5
[M]- 255.02643 167.5
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.