CID 24721042

34403-47-9

Structural Information

Molecular Formula
C8H10BrN
SMILES
C1=CC(=CC=C1CN)CBr
InChI
InChI=1S/C8H10BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5-6,10H2
InChIKey
FVFJGQJXAWCHIE-UHFFFAOYSA-N
Compound name
[4-(bromomethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2554
Patents

198.99966 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 134.9
[M+Na]+ 221.98888 145.9
[M-H]- 197.99238 140.8
[M+NH4]+ 217.03348 157.3
[M+K]+ 237.96282 134.5
[M+H-H2O]+ 181.99692 134.8
[M+HCOO]- 243.99786 157.5
[M+CH3COO]- 258.01351 184.1
[M+Na-2H]- 219.97433 143.0
[M]+ 198.99911 151.7
[M]- 199.00021 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

No literature data available for this compound.

Patent stripe

patents stripe