CID 129314020

1161417-63-5

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1COC2=CC=CC(=C21)[C@@H]3C[C@H]3C(=O)N
InChI
InChI=1S/C12H13NO2/c13-12(14)10-6-9(10)7-2-1-3-11-8(7)4-5-15-11/h1-3,9-10H,4-6H2,(H2,13,14)/t9-,10+/m0/s1
InChIKey
OONWWBUISHEDEE-VHSXEESVSA-N
Compound name
(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

203.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 139.9
[M+Na]+ 226.08386 149.4
[M-H]- 202.08736 148.6
[M+NH4]+ 221.12846 155.2
[M+K]+ 242.05780 146.6
[M+H-H2O]+ 186.09190 134.1
[M+HCOO]- 248.09284 161.8
[M+CH3COO]- 262.10849 153.3
[M+Na-2H]- 224.06931 144.7
[M]+ 203.09409 141.6
[M]- 203.09519 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe