CID 15728463

3-(bromomethyl)-n,n-dimethylaniline hydrobromide

Structural Information

Molecular Formula
C9H12BrN
SMILES
CN(C)C1=CC=CC(=C1)CBr
InChI
InChI=1S/C9H12BrN/c1-11(2)9-5-3-4-8(6-9)7-10/h3-6H,7H2,1-2H3
InChIKey
PCHZZAYPXZNJAC-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

213.0153 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.022576 138.5
[M+Na]+ 236.004518 149.3
[M-H]- 212.008024 146.2
[M+NH4]+ 231.049123 161.3
[M+K]+ 251.978458 139.4
[M+H-H2O]+ 196.012560 138.2
[M+HCOO]- 258.013501 161.9
[M+CH3COO]- 272.029151 190.9
[M+Na-2H]- 233.989966 146.5
[M]+ 213.01475142 157.8
[M]- 213.01584858 157.8
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