CID 3556633

1-(adamantan-1-yl)-2-bromoethan-1-ol

Structural Information

Molecular Formula
C12H19BrO
SMILES
C1C2CC3CC1CC(C2)(C3)C(CBr)O
InChI
InChI=1S/C12H19BrO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,14H,1-7H2
InChIKey
JOPAFDSOJPEXPK-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-bromoethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

258.06192 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06920 159.4
[M+Na]+ 281.05114 163.9
[M-H]- 257.05464 156.3
[M+NH4]+ 276.09574 185.3
[M+K]+ 297.02508 153.6
[M+H-H2O]+ 241.05918 160.0
[M+HCOO]- 303.06012 163.0
[M+CH3COO]- 317.07577 168.9
[M+Na-2H]- 279.03659 169.0
[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

No literature data available for this compound.

Patent stripe

patents stripe