CID 28424984

[(2-bromophenyl)methyl](2-methylbutan-2-yl)amine

Structural Information

Molecular Formula
C12H18BrN
SMILES
CCC(C)(C)NCC1=CC=CC=C1Br
InChI
InChI=1S/C12H18BrN/c1-4-12(2,3)14-9-10-7-5-6-8-11(10)13/h5-8,14H,4,9H2,1-3H3
InChIKey
REPNKQPNEGDVII-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]-2-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06226 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06954 153.6
[M+Na]+ 278.05148 163.4
[M-H]- 254.05498 159.5
[M+NH4]+ 273.09608 174.2
[M+K]+ 294.02542 151.7
[M+H-H2O]+ 238.05952 153.2
[M+HCOO]- 300.06046 173.9
[M+CH3COO]- 314.07611 196.4
[M+Na-2H]- 276.03693 161.0
[M]+ 255.06171 172.1
[M]- 255.06281 172.1
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

No patent data available for this compound.