CID 165880791

2-bromo-1-[(3-methyloxetan-3-yl)methyl]-1h-imidazole

Structural Information

Molecular Formula
C8H11BrN2O
SMILES
CC1(COC1)CN2C=CN=C2Br
InChI
InChI=1S/C8H11BrN2O/c1-8(5-12-6-8)4-11-3-2-10-7(11)9/h2-3H,4-6H2,1H3
InChIKey
WOPVVOZQPOPXHR-UHFFFAOYSA-N
Compound name
2-bromo-1-[(3-methyloxetan-3-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00548 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01276 129.6
[M+Na]+ 252.99470 140.8
[M-H]- 228.99820 137.2
[M+NH4]+ 248.03930 145.3
[M+K]+ 268.96864 135.1
[M+H-H2O]+ 213.00274 125.8
[M+HCOO]- 275.00368 148.5
[M+CH3COO]- 289.01933 188.1
[M+Na-2H]- 250.98015 138.5
[M]+ 230.00493 157.1
[M]- 230.00603 157.1
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.