CID 69535446

1-(2-methylpyridin-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1=C(C=CC=N1)C(C)O
InChI
InChI=1S/C8H11NO/c1-6-8(7(2)10)4-3-5-9-6/h3-5,7,10H,1-2H3
InChIKey
UGNWYUKGPPJQGB-UHFFFAOYSA-N
Compound name
1-(2-methyl-3-pyridinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

137.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.3
[M+Na]+ 160.073278 135.5
[M-H]- 136.076784 128.6
[M+NH4]+ 155.117883 147.4
[M+K]+ 176.047218 133.8
[M+H-H2O]+ 120.081320 121.6
[M+HCOO]- 182.082261 148.7
[M+CH3COO]- 196.097911 172.3
[M+Na-2H]- 158.058726 133.8
[M]+ 137.08351142 126.7
[M]- 137.08460858 126.7
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