CID 21117820

Ns00056702

Structural Information

Molecular Formula
C16H26O2
SMILES
CCOC(=O)C1(CCC=C(C1)CCC=C(C)C)C
InChI
InChI=1S/C16H26O2/c1-5-18-15(17)16(4)11-7-10-14(12-16)9-6-8-13(2)3/h8,10H,5-7,9,11-12H2,1-4H3
InChIKey
YWGWPZZZWHDBPD-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 162.2
[M+Na]+ 273.182498 166.6
[M-H]- 249.186004 164.7
[M+NH4]+ 268.227103 181.5
[M+K]+ 289.156438 164.6
[M+H-H2O]+ 233.190540 156.8
[M+HCOO]- 295.191481 180.4
[M+CH3COO]- 309.207131 196.5
[M+Na-2H]- 271.167946 162.8
[M]+ 250.19273142 162.6
[M]- 250.19382858 162.6
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.