CID 86691193

Rac-(1r,2r)-2-(6-bromopyridin-3-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CN=C(C=C2)Br
InChI
InChI=1S/C9H8BrNO2/c10-8-2-1-5(4-11-8)6-3-7(6)9(12)13/h1-2,4,6-7H,3H2,(H,12,13)/t6-,7+/m0/s1
InChIKey
JTVUIBKAAUOMFG-NKWVEPMBSA-N
Compound name
(1R,2R)-2-(6-bromopyridin-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

240.97385 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 135.8
[M+Na]+ 263.96307 140.9
[M+NH4]+ 259.00767 140.9
[M+K]+ 279.93701 142.9
[M-H]- 239.96657 142.3
[M+Na-2H]- 261.94852 142.3
[M]+ 240.97330 138.2
[M]- 240.97440 138.2
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

patents stripe