CID 75108

2168-13-0

Structural Information

Molecular Formula
C8H12N2O
SMILES
CN(C)CC1=C(C=CC=N1)O
InChI
InChI=1S/C8H12N2O/c1-10(2)6-7-8(11)4-3-5-9-7/h3-5,11H,6H2,1-2H3
InChIKey
NUMYETXZBQVFDX-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

194
Patents

152.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 131.3
[M+Na]+ 175.08418 143.6
[M+NH4]+ 170.12878 139.7
[M+K]+ 191.05812 137.9
[M-H]- 151.08768 133.5
[M+Na-2H]- 173.06963 138.6
[M]+ 152.09441 133.6
[M]- 152.09551 133.6
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