CID 22958267

68692-50-2

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(C)(C)C1=NC=C(C=C1)O
InChI
InChI=1S/C9H13NO/c1-9(2,3)8-5-4-7(11)6-10-8/h4-6,11H,1-3H3
InChIKey
CARZUVRDJVVQOG-UHFFFAOYSA-N
Compound name
6-tert-butylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

151.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 132.3
[M+Na]+ 174.088938 140.8
[M-H]- 150.092444 133.7
[M+NH4]+ 169.133543 152.1
[M+K]+ 190.062878 138.9
[M+H-H2O]+ 134.096980 126.9
[M+HCOO]- 196.097921 152.8
[M+CH3COO]- 210.113571 174.1
[M+Na-2H]- 172.074386 140.1
[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

No literature data available for this compound.

Patent stripe

patents stripe