CID 3023981

Uwiffjdqtkpkgo-uhfffaoysa-n

Structural Information

Molecular Formula
C12H22O
SMILES
CC1CC(=CCOC)CC(C1)(C)C
InChI
InChI=1S/C12H22O/c1-10-7-11(5-6-13-4)9-12(2,3)8-10/h5,10H,6-9H2,1-4H3
InChIKey
UWIFFJDQTKPKGO-UHFFFAOYSA-N
Compound name
3-(2-methoxyethylidene)-1,1,5-trimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 142.5
[M+Na]+ 205.156288 148.7
[M-H]- 181.159794 145.7
[M+NH4]+ 200.200893 165.0
[M+K]+ 221.130228 147.1
[M+H-H2O]+ 165.164330 138.0
[M+HCOO]- 227.165271 162.2
[M+CH3COO]- 241.180921 183.8
[M+Na-2H]- 203.141736 146.1
[M]+ 182.16652142 140.9
[M]- 182.16761858 140.9
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.