CID 117187454

445303-73-1

Structural Information

Molecular Formula

C₅H₇BrN₂O

SMILES

CN1C=C(N=C1CO)Br

InChI

InChI=1S/C5H7BrN2O/c1-8-2-4(6)7-5(8)3-9/h2,9H,3H2,1H3

InChIKey

BNRPQHIWAUHACI-UHFFFAOYSA-N

Compound name

(4-bromo-1-methylimidazol-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 189.97418 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.98146	137.0
[M+Na]+	212.96340	139.4
[M+NH4]+	208.00800	141.0
[M+K]+	228.93734	141.6
[M-H]-	188.96690	135.5
[M+Na-2H]-	210.94885	138.7
[M]+	189.97363	135.5
[M]-	189.97473	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe