CID 118834563

1805551-36-3

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=CC(=C(C=N1)CO)Br
InChI
InChI=1S/C7H8BrNO/c1-5-2-7(8)6(4-10)3-9-5/h2-3,10H,4H2,1H3
InChIKey
DWGKNOVTCABSHV-UHFFFAOYSA-N
Compound name
(4-bromo-6-methylpyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.97893 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 131.8
[M+Na]+ 223.96815 144.5
[M-H]- 199.97165 136.1
[M+NH4]+ 219.01275 153.2
[M+K]+ 239.94209 133.6
[M+H-H2O]+ 183.97619 132.1
[M+HCOO]- 245.97713 152.1
[M+CH3COO]- 259.99278 180.3
[M+Na-2H]- 221.95360 140.3
[M]+ 200.97838 150.5
[M]- 200.97948 150.5
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