CID 35727

35374-62-0

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCC(C)(CCC)C(=O)O
InChI
InChI=1S/C10H20O2/c1-4-6-8-10(3,7-5-2)9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKey
CUUQJONZHFARFJ-UHFFFAOYSA-N
Compound name
2-methyl-2-propylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

127
Patents

172.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 142.4
[M+Na]+ 195.13555 148.1
[M-H]- 171.13905 141.0
[M+NH4]+ 190.18015 162.4
[M+K]+ 211.10949 147.2
[M+H-H2O]+ 155.14359 138.2
[M+HCOO]- 217.14453 161.6
[M+CH3COO]- 231.16018 180.8
[M+Na-2H]- 193.12100 146.4
[M]+ 172.14578 144.4
[M]- 172.14688 144.4
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

No patent data available for this compound.