CID 5282637

8-methyl-undecanoic acid

Structural Information

Molecular Formula
C12H24O2
SMILES
CCCC(C)CCCCCCC(=O)O
InChI
InChI=1S/C12H24O2/c1-3-8-11(2)9-6-4-5-7-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
InChIKey
AJMIXSSSARSTCI-UHFFFAOYSA-N
Compound name
8-methylundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

200.17763 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18491 152.7
[M+Na]+ 223.16685 156.8
[M-H]- 199.17035 150.6
[M+NH4]+ 218.21145 171.3
[M+K]+ 239.14079 155.4
[M+H-H2O]+ 183.17489 147.4
[M+HCOO]- 245.17583 171.7
[M+CH3COO]- 259.19148 187.3
[M+Na-2H]- 221.15230 153.5
[M]+ 200.17708 155.2
[M]- 200.17818 155.2
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