CID 61287527

(3-bromopropyl)(methyl)(propan-2-yl)amine hydrobromide

Structural Information

Molecular Formula
C7H16BrN
SMILES
CC(C)N(C)CCCBr
InChI
InChI=1S/C7H16BrN/c1-7(2)9(3)6-4-5-8/h7H,4-6H2,1-3H3
InChIKey
SZLSIHUQRKFHRV-UHFFFAOYSA-N
Compound name
3-bromo-N-methyl-N-propan-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04662 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05390 139.2
[M+Na]+ 216.03584 148.6
[M-H]- 192.03934 143.3
[M+NH4]+ 211.08044 162.6
[M+K]+ 232.00978 139.7
[M+H-H2O]+ 176.04388 138.9
[M+HCOO]- 238.04482 160.5
[M+CH3COO]- 252.06047 189.6
[M+Na-2H]- 214.02129 144.9
[M]+ 193.04607 158.8
[M]- 193.04717 158.8
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.