CID 121207030

1-ethynyl-4-(propan-2-yl)cyclohexane

Structural Information

Molecular Formula
C11H18
SMILES
CC(C)C1CCC(CC1)C#C
InChI
InChI=1S/C11H18/c1-4-10-5-7-11(8-6-10)9(2)3/h1,9-11H,5-8H2,2-3H3
InChIKey
OKRJUYHCWDYCBM-UHFFFAOYSA-N
Compound name
1-ethynyl-4-propan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

150.14085 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.14813 134.0
[M+Na]+ 173.13007 141.6
[M-H]- 149.13357 135.8
[M+NH4]+ 168.17467 153.1
[M+K]+ 189.10401 137.9
[M+H-H2O]+ 133.13811 123.2
[M+HCOO]- 195.13905 147.7
[M+CH3COO]- 209.15470 187.3
[M+Na-2H]- 171.11552 136.2
[M]+ 150.14030 124.8
[M]- 150.14140 124.8
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