CID 549719

1-ethylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC1(CCCCC1)C(=O)O
InChI
InChI=1S/C9H16O2/c1-2-9(8(10)11)6-4-3-5-7-9/h2-7H2,1H3,(H,10,11)
InChIKey
QRRSHRVKVLSFQS-UHFFFAOYSA-N
Compound name
1-ethylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

658
Patents

156.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 136.2
[M+Na]+ 179.10426 145.8
[M+NH4]+ 174.14886 145.8
[M+K]+ 195.07820 138.6
[M-H]- 155.10776 137.1
[M+Na-2H]- 177.08971 141.8
[M]+ 156.11449 137.7
[M]- 156.11559 137.7
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

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