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-methyl-3-pyridinyl)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]+ 216.138286 151.8
[M+Na]+ 238.120228 160.5
[M-H]- 214.123734 153.4
[M+NH4]+ 233.164833 168.1
[M+K]+ 254.094168 153.6
[M+H-H2O]+ 198.128270 138.9
[M+HCOO]- 260.129211 164.2
[M+CH3COO]- 274.144861 161.4
[M+Na-2H]- 236.105676 155.7
[M]+ 215.13046142 141.7
[M]- 215.13155858 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.