CID 82287771

1-(4-bromo-3-methylphenyl)cyclopropan-1-amine

Structural Information

Molecular Formula
C10H12BrN
SMILES
CC1=C(C=CC(=C1)C2(CC2)N)Br
InChI
InChI=1S/C10H12BrN/c1-7-6-8(2-3-9(7)11)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3
InChIKey
ZURBQOZKXQLLOL-UHFFFAOYSA-N
Compound name
1-(4-bromo-3-methylphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

225.0153 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 134.5
[M+Na]+ 248.00452 140.0
[M+NH4]+ 243.04912 142.3
[M+K]+ 263.97846 139.1
[M-H]- 224.00802 143.5
[M+Na-2H]- 245.98997 143.4
[M]+ 225.01475 137.9
[M]- 225.01585 137.9
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

patents stripe