CID 3017992

Schembl9464731

Structural Information

Molecular Formula
C15H26O
SMILES
CCOC(C)C=CC1C(=CCCC1(C)C)C
InChI
InChI=1S/C15H26O/c1-6-16-13(3)9-10-14-12(2)8-7-11-15(14,4)5/h8-10,13-14H,6-7,11H2,1-5H3
InChIKey
OBPLZLQGJGRDSL-UHFFFAOYSA-N
Compound name
6-(3-ethoxybut-1-enyl)-1,5,5-trimethylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

222.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 154.2
[M+Na]+ 245.187578 160.0
[M-H]- 221.191084 157.3
[M+NH4]+ 240.232183 175.1
[M+K]+ 261.161518 157.8
[M+H-H2O]+ 205.195620 149.2
[M+HCOO]- 267.196561 173.4
[M+CH3COO]- 281.212211 193.4
[M+Na-2H]- 243.173026 156.0
[M]+ 222.19781142 154.6
[M]- 222.19890858 154.6
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

patents stripe