CID 15785876

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 132.7
[M+Na]+ 174.088938 139.2
[M-H]- 150.092444 133.5
[M+NH4]+ 169.133543 151.7
[M+K]+ 190.062878 137.7
[M+H-H2O]+ 134.096980 126.5
[M+HCOO]- 196.097921 152.7
[M+CH3COO]- 210.113571 175.0
[M+Na-2H]- 172.074386 138.0
[M]+ 151.09917142 131.4
[M]- 151.10026858 131.4
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