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 160.5
[M-H]- 214.12373 153.4
[M+NH4]+ 233.16483 168.1
[M+K]+ 254.09417 153.6
[M+H-H2O]+ 198.12827 138.9
[M+HCOO]- 260.12921 164.2
[M+CH3COO]- 274.14486 161.4
[M+Na-2H]- 236.10568 155.7
[M]+ 215.13046 141.7
[M]- 215.13156 141.7
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.