CID 1416305

1-(2-bromoethyl)adamantane

Structural Information

Molecular Formula
C12H19Br
SMILES
C1C2CC3CC1CC(C2)(C3)CCBr
InChI
InChI=1S/C12H19Br/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2
InChIKey
OVKAIZXCUJMFLN-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

129
Patents

242.06702 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07430 154.8
[M+Na]+ 265.05624 160.2
[M-H]- 241.05974 153.2
[M+NH4]+ 260.10084 182.1
[M+K]+ 281.03018 149.7
[M+H-H2O]+ 225.06428 155.0
[M+HCOO]- 287.06522 160.8
[M+CH3COO]- 301.08087 165.3
[M+Na-2H]- 263.04169 165.7
[M]+ 242.06647 171.6
[M]- 242.06757 171.6
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

patents stripe