CID 173956

2-tert-butylpyridin-3-ol

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(C)(C)C1=C(C=CC=N1)O
InChI
InChI=1S/C9H13NO/c1-9(2,3)8-7(11)5-4-6-10-8/h4-6,11H,1-3H3
InChIKey
BRRWAHBFRAJUFB-UHFFFAOYSA-N
Compound name
2-tert-butylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

26
Patents

151.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.3
[M+Na]+ 174.08894 140.8
[M-H]- 150.09244 133.7
[M+NH4]+ 169.13354 152.1
[M+K]+ 190.06288 138.9
[M+H-H2O]+ 134.09698 126.9
[M+HCOO]- 196.09792 152.8
[M+CH3COO]- 210.11357 174.1
[M+Na-2H]- 172.07439 140.1
[M]+ 151.09917 132.1
[M]- 151.10027 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