CID 103389

65416-26-4

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CCOC(C)C=CC1=C(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/h9-10,13H,6-8,11H2,1-5H3

InChIKey

BLSRPKXPUSFJDP-UHFFFAOYSA-N

Compound name

2-(3-ethoxybut-1-enyl)-1,3,3-trimethylcyclohexene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 222.19836 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.20564	154.2
[M+Na]+	245.18758	160.0
[M-H]-	221.19108	157.3
[M+NH4]+	240.23218	175.1
[M+K]+	261.16152	157.8
[M+H-H2O]+	205.19562	149.2
[M+HCOO]-	267.19656	173.4
[M+CH3COO]-	281.21221	193.4
[M+Na-2H]-	243.17303	156.0
[M]+	222.19781	154.6
[M]-	222.19891	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe