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]+ 256.033156 147.1
[M+Na]+ 278.015098 160.2
[M-H]- 254.018604 157.0
[M+NH4]+ 273.059703 164.9
[M+K]+ 293.989038 148.9
[M+H-H2O]+ 238.023140 147.1
[M+HCOO]- 300.024081 169.3
[M+CH3COO]- 314.039731 196.3
[M+Na-2H]- 276.000546 154.6
[M]+ 255.02533142 167.5
[M]- 255.02642858 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.