CID 17812

11-bromoundecanoic acid

Structural Information

Molecular Formula
C11H21BrO2
SMILES
C(CCCCCBr)CCCCC(=O)O
InChI
InChI=1S/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)
InChIKey
IUDGNRWYNOEIKF-UHFFFAOYSA-N
Compound name
11-bromoundecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1538
Patents

264.07248 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07976 157.8
[M+Na]+ 287.06170 157.6
[M+NH4]+ 282.10630 160.8
[M+K]+ 303.03564 157.3
[M-H]- 263.06520 155.1
[M+Na-2H]- 285.04715 156.6
[M]+ 264.07193 155.5
[M]- 264.07303 155.5
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