CID 20569400

1-ethynyl-4,4-dimethylcyclohexan-1-ol

Structural Information

Molecular Formula
C10H16O
SMILES
CC1(CCC(CC1)(C#C)O)C
InChI
InChI=1S/C10H16O/c1-4-10(11)7-5-9(2,3)6-8-10/h1,11H,5-8H2,2-3H3
InChIKey
WEVKMRXSVLVRQC-UHFFFAOYSA-N
Compound name
1-ethynyl-4,4-dimethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

152.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.8
[M+Na]+ 175.10934 143.8
[M-H]- 151.11284 135.6
[M+NH4]+ 170.15394 156.1
[M+K]+ 191.08328 138.9
[M+H-H2O]+ 135.11738 124.9
[M+HCOO]- 197.11832 147.7
[M+CH3COO]- 211.13397 182.6
[M+Na-2H]- 173.09479 139.2
[M]+ 152.11957 125.3
[M]- 152.12067 125.3
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