CID 2769945

26525-24-6

Structural Information

Molecular Formula
C13H19BrO
SMILES
CC(C(=O)C12CC3CC(C1)CC(C3)C2)Br
InChI
InChI=1S/C13H19BrO/c1-8(14)12(15)13-5-9-2-10(6-13)4-11(3-9)7-13/h8-11H,2-7H2,1H3
InChIKey
XABYMCZQJXPCLR-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-bromopropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

270.06192 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.069196 162.5
[M+Na]+ 293.051138 166.8
[M-H]- 269.054644 160.4
[M+NH4]+ 288.095743 188.4
[M+K]+ 309.025078 157.0
[M+H-H2O]+ 253.059180 162.8
[M+HCOO]- 315.060121 166.3
[M+CH3COO]- 329.075771 172.0
[M+Na-2H]- 291.036586 170.8
[M]+ 270.06137142 179.1
[M]- 270.06246858 179.1
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