CID 138039872

2241141-83-1

Structural Information

Molecular Formula
C10H12BrN
SMILES
CN1CC2=C(C1)C=C(C=C2)CBr
InChI
InChI=1S/C10H12BrN/c1-12-6-9-3-2-8(5-11)4-10(9)7-12/h2-4H,5-7H2,1H3
InChIKey
UYJLTZMADZJWIA-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-methyl-1,3-dihydroisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0153 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.022576 144.3
[M+Na]+ 248.004518 156.8
[M-H]- 224.008024 150.4
[M+NH4]+ 243.049123 168.1
[M+K]+ 263.978458 145.7
[M+H-H2O]+ 208.012560 144.7
[M+HCOO]- 270.013501 164.2
[M+CH3COO]- 284.029151 159.7
[M+Na-2H]- 245.989966 151.0
[M]+ 225.01475142 162.6
[M]- 225.01584858 162.6
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

No patent data available for this compound.