CID 3024519

96097-20-0

Structural Information

Molecular Formula
C17H32O2
SMILES
CCOC(C)(C=CC1C(CCCC1(C)C)C)OCC
InChI
InChI=1S/C17H32O2/c1-7-18-17(6,19-8-2)13-11-15-14(3)10-9-12-16(15,4)5/h11,13-15H,7-10,12H2,1-6H3
InChIKey
HNVHSPIGJIWWQU-UHFFFAOYSA-N
Compound name
2-(3,3-diethoxybut-1-enyl)-1,1,3-trimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.24023 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.247506 167.6
[M+Na]+ 291.229448 172.2
[M-H]- 267.232954 170.1
[M+NH4]+ 286.274053 186.7
[M+K]+ 307.203388 170.3
[M+H-H2O]+ 251.237490 162.8
[M+HCOO]- 313.238431 184.3
[M+CH3COO]- 327.254081 201.3
[M+Na-2H]- 289.214896 169.6
[M]+ 268.23968142 169.0
[M]- 268.24077858 169.0
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.