CID 21756143

(4-bromo-3-methylphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC1=C(C=CC(=C1)CN)Br
InChI
InChI=1S/C8H10BrN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5,10H2,1H3
InChIKey
NUWRMNDFKGVDBT-UHFFFAOYSA-N
Compound name
(4-bromo-3-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

198.99966 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.006936 134.5
[M+Na]+ 221.988878 146.4
[M-H]- 197.992384 140.7
[M+NH4]+ 217.033483 157.2
[M+K]+ 237.962818 135.0
[M+H-H2O]+ 181.996920 134.6
[M+HCOO]- 243.997861 157.1
[M+CH3COO]- 258.013511 185.1
[M+Na-2H]- 219.974326 141.9
[M]+ 198.99911142 151.6
[M]- 199.00020858 151.6
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

patents stripe