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]+ 256.033156 150.9
[M+Na]+ 278.015098 164.1
[M-H]- 254.018604 159.7
[M+NH4]+ 273.059703 167.8
[M+K]+ 293.989038 153.5
[M+H-H2O]+ 238.023140 150.4
[M+HCOO]- 300.024081 171.7
[M+CH3COO]- 314.039731 194.0
[M+Na-2H]- 276.000546 159.4
[M]+ 255.02533142 172.9
[M]- 255.02642858 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.