CID 40466493

(s)-(4-bromophenyl)(cyclopropyl)methanamine

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1CC1[C@@H](C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C10H12BrN/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10H,1-2,12H2/t10-/m0/s1
InChIKey
CFTNYXDVHSKCKL-JTQLQIEISA-N
Compound name
(S)-(4-bromophenyl)-cyclopropylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

225.0153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 132.9
[M+Na]+ 248.00452 137.6
[M+NH4]+ 243.04912 139.3
[M+K]+ 263.97846 138.6
[M-H]- 224.00802 141.4
[M+Na-2H]- 245.98997 140.5
[M]+ 225.01475 135.8
[M]- 225.01585 135.8
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.