CID 89781

Cyclohexanecarboxylic anhydride

Structural Information

Molecular Formula
C14H22O3
SMILES
C1CCC(CC1)C(=O)OC(=O)C2CCCCC2
InChI
InChI=1S/C14H22O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
JOHUAELJNSBTGS-UHFFFAOYSA-N
Compound name
cyclohexanecarbonyl cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1409
Patents

238.15689 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16417 158.2
[M+Na]+ 261.14611 166.5
[M+NH4]+ 256.19071 166.0
[M+K]+ 277.12005 161.0
[M-H]- 237.14961 160.7
[M+Na-2H]- 259.13156 162.1
[M]+ 238.15634 159.7
[M]- 238.15744 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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