CID 61289330

Benzyl(4-bromobutyl)(propan-2-yl)amine hydrobromide

Structural Information

Molecular Formula
C14H22BrN
SMILES
CC(C)N(CCCCBr)CC1=CC=CC=C1
InChI
InChI=1S/C14H22BrN/c1-13(2)16(11-7-6-10-15)12-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKey
UEGSBJXNWSKHFH-UHFFFAOYSA-N
Compound name
N-benzyl-4-bromo-N-propan-2-ylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.09357 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10085 163.4
[M+Na]+ 306.08279 170.9
[M-H]- 282.08629 169.8
[M+NH4]+ 301.12739 183.1
[M+K]+ 322.05673 160.2
[M+H-H2O]+ 266.09083 161.8
[M+HCOO]- 328.09177 184.1
[M+CH3COO]- 342.10742 204.7
[M+Na-2H]- 304.06824 167.9
[M]+ 283.09302 183.3
[M]- 283.09412 183.3
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.