CID 143080

6-methyldecanoic acid

Structural Information

Molecular Formula
C11H22O2
SMILES
CCCCC(C)CCCCC(=O)O
InChI
InChI=1S/C11H22O2/c1-3-4-7-10(2)8-5-6-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKey
NVOAFFMZXPOERM-UHFFFAOYSA-N
Compound name
6-methyldecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

186.16199 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.16927 148.0
[M+Na]+ 209.15121 152.6
[M-H]- 185.15471 146.2
[M+NH4]+ 204.19581 167.2
[M+K]+ 225.12515 151.4
[M+H-H2O]+ 169.15925 143.0
[M+HCOO]- 231.16019 167.4
[M+CH3COO]- 245.17584 184.3
[M+Na-2H]- 207.13666 149.4
[M]+ 186.16144 150.2
[M]- 186.16254 150.2
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