CID 19894593

1116572-69-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

213.0153 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 138.5
[M+Na]+ 236.00452 149.3
[M-H]- 212.00802 146.2
[M+NH4]+ 231.04912 161.3
[M+K]+ 251.97846 139.4
[M+H-H2O]+ 196.01256 138.2
[M+HCOO]- 258.01350 161.9
[M+CH3COO]- 272.02915 190.9
[M+Na-2H]- 233.98997 146.5
[M]+ 213.01475 157.8
[M]- 213.01585 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