CID 104067

2,2-dipropylpentanoic acid

Structural Information

Molecular Formula
C11H22O2
SMILES
CCCC(CCC)(CCC)C(=O)O
InChI
InChI=1S/C11H22O2/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-9H2,1-3H3,(H,12,13)
InChIKey
UMJGAWHIMHSGMU-UHFFFAOYSA-N
Compound name
2,2-dipropylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

125
Patents

186.16199 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.169266 147.1
[M+Na]+ 209.151208 152.4
[M-H]- 185.154714 145.5
[M+NH4]+ 204.195813 166.5
[M+K]+ 225.125148 151.1
[M+H-H2O]+ 169.159250 142.7
[M+HCOO]- 231.160191 165.9
[M+CH3COO]- 245.175841 183.8
[M+Na-2H]- 207.136656 150.5
[M]+ 186.16144142 149.5
[M]- 186.16253858 149.5
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