CID 698810

29767-97-3

Structural Information

Molecular Formula
C10H11NO
SMILES
CC(C)(C#CC1=CC=CC=N1)O
InChI
InChI=1S/C10H11NO/c1-10(2,12)7-6-9-5-3-4-8-11-9/h3-5,8,12H,1-2H3
InChIKey
YBUWIVMOMHEALF-UHFFFAOYSA-N
Compound name
2-methyl-4-pyridin-2-ylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

18
Patents

161.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 138.7
[M+Na]+ 184.07328 148.3
[M-H]- 160.07678 138.2
[M+NH4]+ 179.11788 155.4
[M+K]+ 200.04722 144.5
[M+H-H2O]+ 144.08132 126.8
[M+HCOO]- 206.08226 153.3
[M+CH3COO]- 220.09791 182.6
[M+Na-2H]- 182.05873 145.1
[M]+ 161.08351 132.3
[M]- 161.08461 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe