CID 377298

Nsc658700

Structural Information

Molecular Formula
C13H22O
SMILES
CC1CCC(=CC1)C(C)(C)OCC=C
InChI
InChI=1S/C13H22O/c1-5-10-14-13(3,4)12-8-6-11(2)7-9-12/h5,8,11H,1,6-7,9-10H2,2-4H3
InChIKey
GZVCPWAZIZCHNK-UHFFFAOYSA-N
Compound name
4-methyl-1-(2-prop-2-enoxypropan-2-yl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 146.7
[M+Na]+ 217.15629 152.1
[M-H]- 193.15979 149.6
[M+NH4]+ 212.20089 166.5
[M+K]+ 233.13023 150.1
[M+H-H2O]+ 177.16433 141.4
[M+HCOO]- 239.16527 166.0
[M+CH3COO]- 253.18092 186.8
[M+Na-2H]- 215.14174 150.9
[M]+ 194.16652 146.0
[M]- 194.16762 146.0
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.