CID 3040596

52535-36-1

Structural Information

Molecular Formula
C14H17NO
SMILES
CC1=NC=C(C=C1)C#CC2(CCCCC2)O
InChI
InChI=1S/C14H17NO/c1-12-5-6-13(11-15-12)7-10-14(16)8-3-2-4-9-14/h5-6,11,16H,2-4,8-9H2,1H3
InChIKey
IELAPYICSDDDGY-UHFFFAOYSA-N
Compound name
1-[2-(6-methylpyridin-3-yl)ethynyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 151.8
[M+Na]+ 238.12023 164.2
[M+NH4]+ 233.16483 158.1
[M+K]+ 254.09417 152.1
[M-H]- 214.12373 147.1
[M+Na-2H]- 236.10568 157.2
[M]+ 215.13046 151.6
[M]- 215.13156 151.6
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.