CID 137895

12-bromo-1-dodecanol

Structural Information

Molecular Formula
C12H25BrO
SMILES
C(CCCCCCBr)CCCCCO
InChI
InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2
InChIKey
ASIDMJNTHJYVQJ-UHFFFAOYSA-N
Compound name
12-bromododecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

944
Patents

264.1089 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11618 161.0
[M+Na]+ 287.09812 168.8
[M-H]- 263.10162 161.5
[M+NH4]+ 282.14272 180.8
[M+K]+ 303.07206 156.8
[M+H-H2O]+ 247.10616 160.7
[M+HCOO]- 309.10710 179.1
[M+CH3COO]- 323.12275 194.4
[M+Na-2H]- 285.08357 165.2
[M]+ 264.10835 182.1
[M]- 264.10945 182.1
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

No patent data available for this compound.