CID 138987339

2227814-20-0

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
CC1([C@@H]([C@H]1C(=O)O)C2=C(C=NC=C2)Cl)C
InChI
InChI=1S/C11H12ClNO2/c1-11(2)8(9(11)10(14)15)6-3-4-13-5-7(6)12/h3-5,8-9H,1-2H3,(H,14,15)/t8-,9+/m1/s1
InChIKey
JLBPTHNSZBIABU-BDAKNGLRSA-N
Compound name
(1R,3R)-3-(3-chloropyridin-4-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05565 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 147.3
[M+Na]+ 248.04487 162.5
[M+NH4]+ 243.08947 157.2
[M+K]+ 264.01881 156.0
[M-H]- 224.04837 156.4
[M+Na-2H]- 246.03032 157.7
[M]+ 225.05510 153.6
[M]- 225.05620 153.6
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.