CID 83350046

1-(3-bromo-2-methylphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC1=C(C=CC=C1Br)C(C)N
InChI
InChI=1S/C9H12BrN/c1-6-8(7(2)11)4-3-5-9(6)10/h3-5,7H,11H2,1-2H3
InChIKey
RRAICCSPOPJDTO-UHFFFAOYSA-N
Compound name
1-(3-bromo-2-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

213.0153 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.022576 139.9
[M+Na]+ 236.004518 151.1
[M-H]- 212.008024 146.0
[M+NH4]+ 231.049123 162.0
[M+K]+ 251.978458 139.8
[M+H-H2O]+ 196.012560 139.8
[M+HCOO]- 258.013501 161.2
[M+CH3COO]- 272.029151 188.7
[M+Na-2H]- 233.989966 145.5
[M]+ 213.01475142 156.7
[M]- 213.01584858 156.7
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