CID 209230

19491-73-7

Structural Information

Molecular Formula
C12H18BrN
SMILES
CCCCNCC(C1=CC=CC=C1)Br
InChI
InChI=1S/C12H18BrN/c1-2-3-9-14-10-12(13)11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3
InChIKey
WLICZXLXLPGKMW-UHFFFAOYSA-N
Compound name
N-(2-bromo-2-phenylethyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06226 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06954 153.9
[M+Na]+ 278.05148 162.1
[M-H]- 254.05498 159.2
[M+NH4]+ 273.09608 174.0
[M+K]+ 294.02542 150.5
[M+H-H2O]+ 238.05952 152.8
[M+HCOO]- 300.06046 174.8
[M+CH3COO]- 314.07611 195.8
[M+Na-2H]- 276.03693 160.2
[M]+ 255.06171 171.9
[M]- 255.06281 171.9
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.