CID 154832500

2227763-79-1

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
CC1=NC(=C(C=C1)[C@@H]2C[C@H]2C(=O)O)Cl
InChI
InChI=1S/C10H10ClNO2/c1-5-2-3-6(9(11)12-5)7-4-8(7)10(13)14/h2-3,7-8H,4H2,1H3,(H,13,14)/t7-,8+/m0/s1
InChIKey
BQOBTIYEGSCYCA-JGVFFNPUSA-N
Compound name
(1R,2R)-2-(2-chloro-6-methylpyridin-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04001 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04729 141.0
[M+Na]+ 234.02923 152.6
[M-H]- 210.03273 146.4
[M+NH4]+ 229.07383 154.4
[M+K]+ 250.00317 147.3
[M+H-H2O]+ 194.03727 135.1
[M+HCOO]- 256.03821 158.2
[M+CH3COO]- 270.05386 187.3
[M+Na-2H]- 232.01468 145.0
[M]+ 211.03946 145.6
[M]- 211.04056 145.6
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.