CID 97178676

5-bromo-2-((1-ethylcyclopropyl)methoxy)pyridine

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CCC1(CC1)COC2=NC=C(C=C2)Br
InChI
InChI=1S/C11H14BrNO/c1-2-11(5-6-11)8-14-10-4-3-9(12)7-13-10/h3-4,7H,2,5-6,8H2,1H3
InChIKey
VCWQEVUQPGFHGI-UHFFFAOYSA-N
Compound name
5-bromo-2-[(1-ethylcyclopropyl)methoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 150.9
[M+Na]+ 278.01510 164.1
[M-H]- 254.01860 159.7
[M+NH4]+ 273.05970 167.8
[M+K]+ 293.98904 153.5
[M+H-H2O]+ 238.02314 150.4
[M+HCOO]- 300.02408 171.7
[M+CH3COO]- 314.03973 194.0
[M+Na-2H]- 276.00055 159.4
[M]+ 255.02533 172.9
[M]- 255.02643 172.9
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.