CID 25000008

1067887-42-6

Structural Information

Molecular Formula
C7H9BrN2O
SMILES
CC(C1=C(N=CC(=C1)Br)N)O
InChI
InChI=1S/C7H9BrN2O/c1-4(11)6-2-5(8)3-10-7(6)9/h2-4,11H,1H3,(H2,9,10)
InChIKey
BRGDGUJGSXQUTN-UHFFFAOYSA-N
Compound name
1-(2-amino-5-bromopyridin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

215.98982 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99710 137.3
[M+Na]+ 238.97904 148.7
[M-H]- 214.98254 141.0
[M+NH4]+ 234.02364 157.3
[M+K]+ 254.95298 137.4
[M+H-H2O]+ 198.98708 136.7
[M+HCOO]- 260.98802 156.8
[M+CH3COO]- 275.00367 185.1
[M+Na-2H]- 236.96449 143.6
[M]+ 215.98927 153.5
[M]- 215.99037 153.5
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