CID 129949726

(5-amino-6-bromopyridin-3-yl)methanol

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
C1=C(C=NC(=C1N)Br)CO
InChI
InChI=1S/C6H7BrN2O/c7-6-5(8)1-4(3-10)2-9-6/h1-2,10H,3,8H2
InChIKey
OAMISFXIAZYDAN-UHFFFAOYSA-N
Compound name
(5-amino-6-bromopyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.97418 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 132.0
[M+Na]+ 224.96340 144.1
[M-H]- 200.96690 135.8
[M+NH4]+ 220.00800 152.6
[M+K]+ 240.93734 132.5
[M+H-H2O]+ 184.97144 131.5
[M+HCOO]- 246.97238 152.8
[M+CH3COO]- 260.98803 181.4
[M+Na-2H]- 222.94885 140.1
[M]+ 201.97363 148.5
[M]- 201.97473 148.5
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

No patent data available for this compound.