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

85
Patents

225.0153 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.022576 140.0
[M+Na]+ 248.004518 152.8
[M-H]- 224.008024 149.8
[M+NH4]+ 243.049123 158.7
[M+K]+ 263.978458 141.6
[M+H-H2O]+ 208.012560 140.2
[M+HCOO]- 270.013501 162.4
[M+CH3COO]- 284.029151 190.8
[M+Na-2H]- 245.989966 148.7
[M]+ 225.01475142 158.5
[M]- 225.01584858 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