CID 11126470

Methyl 2-cyclohexylideneacetate

Structural Information

Molecular Formula
C9H14O2
SMILES
COC(=O)C=C1CCCCC1
InChI
InChI=1S/C9H14O2/c1-11-9(10)7-8-5-3-2-4-6-8/h7H,2-6H2,1H3
InChIKey
SSYXINHPLNNOSJ-UHFFFAOYSA-N
Compound name
methyl 2-cyclohexylideneacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

154.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 133.9
[M+Na]+ 177.08860 138.7
[M-H]- 153.09210 136.6
[M+NH4]+ 172.13320 154.7
[M+K]+ 193.06254 137.8
[M+H-H2O]+ 137.09664 128.5
[M+HCOO]- 199.09758 154.0
[M+CH3COO]- 213.11323 174.2
[M+Na-2H]- 175.07405 137.9
[M]+ 154.09883 130.2
[M]- 154.09993 130.2
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

patents stripe