CID 12431739

2-dodecanol, 1-bromo-

Structural Information

Molecular Formula
C12H25BrO
SMILES
CCCCCCCCCCC(CBr)O
InChI
InChI=1S/C12H25BrO/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12,14H,2-11H2,1H3
InChIKey
QOPILZDHKUVRPM-UHFFFAOYSA-N
Compound name
1-bromododecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

264.1089 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11618 162.2
[M+Na]+ 287.09812 169.8
[M-H]- 263.10162 162.7
[M+NH4]+ 282.14272 181.9
[M+K]+ 303.07206 158.1
[M+H-H2O]+ 247.10616 161.8
[M+HCOO]- 309.10710 179.3
[M+CH3COO]- 323.12275 195.1
[M+Na-2H]- 285.08357 165.1
[M]+ 264.10835 182.7
[M]- 264.10945 182.7
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