CID 20729852

2-(6-methylpyridin-2-yl)propan-2-ol

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=NC(=CC=C1)C(C)(C)O
InChI
InChI=1S/C9H13NO/c1-7-5-4-6-8(10-7)9(2,3)11/h4-6,11H,1-3H3
InChIKey
ABBIAAYNPSBUFH-UHFFFAOYSA-N
Compound name
2-(6-methylpyridin-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

151.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.0
[M+Na]+ 174.08894 140.5
[M-H]- 150.09244 133.4
[M+NH4]+ 169.13354 151.7
[M+K]+ 190.06288 138.6
[M+H-H2O]+ 134.09698 126.7
[M+HCOO]- 196.09792 152.5
[M+CH3COO]- 210.11357 174.8
[M+Na-2H]- 172.07439 139.8
[M]+ 151.09917 132.0
[M]- 151.10027 132.0
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