CID 2379498

1-(2-bromoethoxy)adamantane

Structural Information

Molecular Formula
C12H19BrO
SMILES
C1C2CC3CC1CC(C2)(C3)OCCBr
InChI
InChI=1S/C12H19BrO/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2
InChIKey
UFOPDKFDABQUFD-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.06192 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06920 157.2
[M+Na]+ 281.05114 162.4
[M-H]- 257.05464 155.5
[M+NH4]+ 276.09574 183.8
[M+K]+ 297.02508 152.5
[M+H-H2O]+ 241.05918 157.2
[M+HCOO]- 303.06012 163.2
[M+CH3COO]- 317.07577 167.5
[M+Na-2H]- 279.03659 168.3
[M]+ 258.06137 175.4
[M]- 258.06247 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.