CID 10241197

2208-95-9

Structural Information

Molecular Formula
C10H16O2
SMILES
CC\1CCCC/C1=C/C(=O)OC
InChI
InChI=1S/C10H16O2/c1-8-5-3-4-6-9(8)7-10(11)12-2/h7-8H,3-6H2,1-2H3/b9-7-
InChIKey
WPQWBDMYEIECGY-CLFYSBASSA-N
Compound name
methyl (2Z)-2-(2-methylcyclohexylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 137.6
[M+Na]+ 191.10426 142.9
[M-H]- 167.10776 140.5
[M+NH4]+ 186.14886 158.1
[M+K]+ 207.07820 141.8
[M+H-H2O]+ 151.11230 132.3
[M+HCOO]- 213.11324 157.4
[M+CH3COO]- 227.12889 178.4
[M+Na-2H]- 189.08971 140.5
[M]+ 168.11449 134.7
[M]- 168.11559 134.7
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.