CID 23087717

1-(3-bromophenyl)-2-methylpropan-2-amine

Structural Information

Molecular Formula
C10H14BrN
SMILES
CC(C)(CC1=CC(=CC=C1)Br)N
InChI
InChI=1S/C10H14BrN/c1-10(2,12)7-8-4-3-5-9(11)6-8/h3-6H,7,12H2,1-2H3
InChIKey
VUJANHVNFQTFTH-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

227.03096 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03824 145.2
[M+Na]+ 250.02018 155.9
[M-H]- 226.02368 151.1
[M+NH4]+ 245.06478 166.7
[M+K]+ 265.99412 144.3
[M+H-H2O]+ 210.02822 145.3
[M+HCOO]- 272.02916 165.7
[M+CH3COO]- 286.04481 190.0
[M+Na-2H]- 248.00563 152.7
[M]+ 227.03041 162.2
[M]- 227.03151 162.2
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