CID 61287750

(3-bromopropyl)(butan-2-yl)methylamine hydrobromide

Structural Information

Molecular Formula
C8H18BrN
SMILES
CCC(C)N(C)CCCBr
InChI
InChI=1S/C8H18BrN/c1-4-8(2)10(3)7-5-6-9/h8H,4-7H2,1-3H3
InChIKey
AXKWAWDMRDPEFA-UHFFFAOYSA-N
Compound name
N-(3-bromopropyl)-N-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06226 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06954 143.9
[M+Na]+ 230.05148 152.9
[M-H]- 206.05498 147.8
[M+NH4]+ 225.09608 166.8
[M+K]+ 246.02542 143.7
[M+H-H2O]+ 190.05952 143.4
[M+HCOO]- 252.06046 164.8
[M+CH3COO]- 266.07611 192.4
[M+Na-2H]- 228.03693 149.0
[M]+ 207.06171 163.8
[M]- 207.06281 163.8
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.