CID 19981018

1-(4-bromophenyl)butan-1-amine

Structural Information

Molecular Formula
C10H14BrN
SMILES
CCCC(C1=CC=C(C=C1)Br)N
InChI
InChI=1S/C10H14BrN/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10H,2-3,12H2,1H3
InChIKey
STORZZRBHMOXOC-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

227.03096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03824 145.2
[M+Na]+ 250.02018 155.0
[M-H]- 226.02368 150.7
[M+NH4]+ 245.06478 166.4
[M+K]+ 265.99412 143.5
[M+H-H2O]+ 210.02822 144.6
[M+HCOO]- 272.02916 166.1
[M+CH3COO]- 286.04481 190.5
[M+Na-2H]- 248.00563 150.9
[M]+ 227.03041 161.9
[M]- 227.03151 161.9
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

patents stripe