CID 28937846

(1-(4-bromophenyl)cyclopropyl)methanamine

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1CC1(CN)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H12BrN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-7,12H2
InChIKey
SOZRMVNRGDOZBY-UHFFFAOYSA-N
Compound name
[1-(4-bromophenyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
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 140.0
[M+Na]+ 248.00452 152.8
[M-H]- 224.00802 149.8
[M+NH4]+ 243.04912 158.7
[M+K]+ 263.97846 141.6
[M+H-H2O]+ 208.01256 140.2
[M+HCOO]- 270.01350 162.4
[M+CH3COO]- 284.02915 190.8
[M+Na-2H]- 245.98997 148.7
[M]+ 225.01475 158.5
[M]- 225.01585 158.5
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

patents stripe