CID 457588

67344-77-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

319
Patents

198.99966 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 134.5
[M+Na]+ 221.98888 138.3
[M+NH4]+ 217.03348 140.5
[M+K]+ 237.96282 137.2
[M-H]- 197.99238 136.5
[M+Na-2H]- 219.97433 139.5
[M]+ 198.99911 134.5
[M]- 199.00021 134.5
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