CID 485400

699-03-6

Structural Information

Molecular Formula
C8H10BrN
SMILES
CNCC1=CC=C(C=C1)Br
InChI
InChI=1S/C8H10BrN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKey
URFJXIULELMVHV-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

299
Patents

198.99966 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.006936 134.0
[M+Na]+ 221.988878 145.0
[M-H]- 197.992384 140.3
[M+NH4]+ 217.033483 156.7
[M+K]+ 237.962818 134.0
[M+H-H2O]+ 181.996920 133.9
[M+HCOO]- 243.997861 157.2
[M+CH3COO]- 258.013511 184.7
[M+Na-2H]- 219.974326 143.1
[M]+ 198.99911142 151.7
[M]- 199.00020858 151.7
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