CID 22391969

2-(4-bromopyridin-2-yl)propan-2-ol

Structural Information

Molecular Formula
C8H10BrNO
SMILES
CC(C)(C1=NC=CC(=C1)Br)O
InChI
InChI=1S/C8H10BrNO/c1-8(2,11)7-5-6(9)3-4-10-7/h3-5,11H,1-2H3
InChIKey
CLVXFESSKJLAAE-UHFFFAOYSA-N
Compound name
2-(4-bromopyridin-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

214.99458 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00186 138.2
[M+Na]+ 237.98380 150.1
[M-H]- 213.98730 142.4
[M+NH4]+ 233.02840 158.9
[M+K]+ 253.95774 139.2
[M+H-H2O]+ 197.99184 138.8
[M+HCOO]- 259.99278 156.7
[M+CH3COO]- 274.00843 182.4
[M+Na-2H]- 235.96925 147.3
[M]+ 214.99403 156.4
[M]- 214.99513 156.4
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