CID 209234

19504-35-9

Structural Information

Molecular Formula
C16H26BrN
SMILES
CCCCN(CCCC)CC(C1=CC=CC=C1)Br
InChI
InChI=1S/C16H26BrN/c1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15/h7-11,16H,3-6,12-14H2,1-2H3
InChIKey
ONWGEIRBSFHAEJ-UHFFFAOYSA-N
Compound name
N-(2-bromo-2-phenylethyl)-N-butylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.12485 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13213 172.7
[M+Na]+ 334.11407 179.4
[M-H]- 310.11757 178.6
[M+NH4]+ 329.15867 191.3
[M+K]+ 350.08801 168.1
[M+H-H2O]+ 294.12211 170.6
[M+HCOO]- 356.12305 192.7
[M+CH3COO]- 370.13870 210.2
[M+Na-2H]- 332.09952 176.0
[M]+ 311.12430 193.2
[M]- 311.12540 193.2
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

No patent data available for this compound.