CID 39235836

731811-50-0

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CN=CC=C2
InChI
InChI=1S/C9H9NO2/c11-9(12)8-4-7(8)6-2-1-3-10-5-6/h1-3,5,7-8H,4H2,(H,11,12)/t7-,8+/m0/s1
InChIKey
RMVMPLYFCJXMCQ-JGVFFNPUSA-N
Compound name
trans-(1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

163.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.070596 134.0
[M+Na]+ 186.052538 143.8
[M-H]- 162.056044 139.3
[M+NH4]+ 181.097143 147.9
[M+K]+ 202.026478 140.5
[M+H-H2O]+ 146.060580 127.1
[M+HCOO]- 208.061521 156.0
[M+CH3COO]- 222.077171 178.5
[M+Na-2H]- 184.037986 140.2
[M]+ 163.06277142 135.6
[M]- 163.06386858 135.6
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

patents stripe