CID 19690951

(2-ethylpyridin-3-yl)methanol

Structural Information

Molecular Formula
C8H11NO
SMILES
CCC1=C(C=CC=N1)CO
InChI
InChI=1S/C8H11NO/c1-2-8-7(6-10)4-3-5-9-8/h3-5,10H,2,6H2,1H3
InChIKey
DTEHAOWFPTWQFH-UHFFFAOYSA-N
Compound name
(2-ethyl-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
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 127.1
[M+Na]+ 160.073278 135.6
[M-H]- 136.076784 128.3
[M+NH4]+ 155.117883 147.2
[M+K]+ 176.047218 133.4
[M+H-H2O]+ 120.081320 121.3
[M+HCOO]- 182.082261 149.5
[M+CH3COO]- 196.097911 171.4
[M+Na-2H]- 158.058726 134.8
[M]+ 137.08351142 127.2
[M]- 137.08460858 127.2
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