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

1071
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

literature stripe

Patent stripe

patents stripe