CID 84783317

2138422-97-4

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC1=C(C(=C(C=C1)CN)C)Br
InChI
InChI=1S/C9H12BrN/c1-6-3-4-8(5-11)7(2)9(6)10/h3-4H,5,11H2,1-2H3
InChIKey
JKUNMJKEMGABAM-UHFFFAOYSA-N
Compound name
(3-bromo-2,4-dimethylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.0153 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 138.6
[M+Na]+ 236.00452 150.9
[M-H]- 212.00802 145.0
[M+NH4]+ 231.04912 161.1
[M+K]+ 251.97846 139.3
[M+H-H2O]+ 196.01256 138.6
[M+HCOO]- 258.01350 160.8
[M+CH3COO]- 272.02915 189.0
[M+Na-2H]- 233.98997 144.9
[M]+ 213.01475 156.4
[M]- 213.01585 156.4
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