CID 13952004

2-methyl-2-(pyridin-2-yl)propan-1-ol

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(C)(CO)C1=CC=CC=N1
InChI
InChI=1S/C9H13NO/c1-9(2,7-11)8-5-3-4-6-10-8/h3-6,11H,7H2,1-2H3
InChIKey
MSNGDXFIDIGZST-UHFFFAOYSA-N
Compound name
2-methyl-2-pyridin-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

151.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 132.6
[M+Na]+ 174.088938 140.1
[M-H]- 150.092444 133.6
[M+NH4]+ 169.133543 152.0
[M+K]+ 190.062878 138.1
[M+H-H2O]+ 134.096980 126.9
[M+HCOO]- 196.097921 153.1
[M+CH3COO]- 210.113571 173.6
[M+Na-2H]- 172.074386 141.1
[M]+ 151.09917142 132.1
[M]- 151.10026858 132.1
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