CID 75942

10-methylundecanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1985
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 151.0
[M+Na]+ 223.16685 159.2
[M+NH4]+ 218.21145 157.4
[M+K]+ 239.14079 153.7
[M-H]- 199.17035 149.2
[M+Na-2H]- 221.15230 152.2
[M]+ 200.17708 151.3
[M]- 200.17818 151.3
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