CID 98317

1-bromo-3,5-dimethyladamantane

Structural Information

Molecular Formula
C12H19Br
SMILES
CC12CC3CC(C1)(CC(C3)(C2)Br)C
InChI
InChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
InChIKey
QUCXLVDIVQWYJR-UHFFFAOYSA-N
Compound name
1-bromo-3,5-dimethyladamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

242.06702 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07430 154.4
[M+Na]+ 265.05624 162.1
[M-H]- 241.05974 153.6
[M+NH4]+ 260.10084 185.3
[M+K]+ 281.03018 151.3
[M+H-H2O]+ 225.06428 154.1
[M+HCOO]- 287.06522 160.3
[M+CH3COO]- 301.08087 165.7
[M+Na-2H]- 263.04169 166.8
[M]+ 242.06647 172.1
[M]- 242.06757 172.1
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