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
1
Annotation Hits

0
References

115
Patents

186.16199 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.16927 147.1
[M+Na]+ 209.15121 152.4
[M-H]- 185.15471 145.5
[M+NH4]+ 204.19581 166.5
[M+K]+ 225.12515 151.1
[M+H-H2O]+ 169.15925 142.7
[M+HCOO]- 231.16019 165.9
[M+CH3COO]- 245.17584 183.8
[M+Na-2H]- 207.13666 150.5
[M]+ 186.16144 149.5
[M]- 186.16254 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