CID 4719977

1158780-91-6

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1CC1NCC2=CC=C(C=C2)Br
InChI
InChI=1S/C10H12BrN/c11-9-3-1-8(2-4-9)7-12-10-5-6-10/h1-4,10,12H,5-7H2
InChIKey
GLGKPGNDJXTNEF-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

225.0153 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 133.6
[M+Na]+ 248.00452 138.9
[M+NH4]+ 243.04912 140.3
[M+K]+ 263.97846 139.0
[M-H]- 224.00802 142.5
[M+Na-2H]- 245.98997 141.9
[M]+ 225.01475 136.8
[M]- 225.01585 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe